1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C72H164N13+ — CID 159653810

IUPAC1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.C.C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CC[N+](C)(C)CC1
InChIInChI=1S/2C10H22N2.C9H21N2.C9H20N2.C8H18N2.2C8H17N.C7H15N.3CH4/c1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;;/h2*9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*1H4/q;;+1;;;;;;;;
InChIKeyMRXNISGOVSRURZ-UHFFFAOYSA-N
MW1212.19 g/mol
LogP12.46
Rot. Bonds11

About 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 159653810) has the molecular formula C72H164N13+ and a molecular weight of 1212.19 g/mol. Its IUPAC name is 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID159653810
Molecular FormulaC72H164N13+
Molecular Weight1212.19 g/mol
Exact Mass1211.32
IUPAC Name1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.C.C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CC[N+](C)(C)CC1
InChIInChI=1S/2C10H22N2.C9H21N2.C9H20N2.C8H18N2.2C8H17N.C7H15N.3CH4/c1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;;/h2*9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*1H4/q;;+1;;;;;;;;
InChIKeyMRXNISGOVSRURZ-UHFFFAOYSA-N
XLogP12.46
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.19
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);tungsten(2+)
CID 157415417
2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane
CID 157582080
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1,4-diethylpiperazine;1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-4-amine;1-ethyl-N,N-di(propan-2-yl)pyrrolidin-3-amine;1-ethyl-N,N-dipropylpiperidin-3-amine;1-ethyl-N,N-dipropylpiperidin-4-amine;1-ethyl-N,N-dipropylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-3-amine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 158143071
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
CID 158333106
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158835822

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 159653810) is 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is C.C.C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CC[N+](C)(C)CC1.
What is the InChIKey of 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is MRXNISGOVSRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2.C9H21N2.C9H20N2.C8H18N2.2C8H17N.C7H15N.3CH4/c1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;;;/h2*9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;3*1H4/q;;+1;;;;;;;;.
What are the key properties of 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 1212.19 g/mol, XLogP of 12.46, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159653810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).