N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C53H123N9O — CID 161284258

IUPACN,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CNC(C)C
InChIInChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C4H11N.3CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4(2)5-3;;;/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3*1H4
InChIKeyVFMSJAYQQPHSNI-UHFFFAOYSA-N
MW902.63 g/mol
LogP10.32
Rot. Bonds7

About N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 161284258) has the molecular formula C53H123N9O and a molecular weight of 902.63 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID161284258
Molecular FormulaC53H123N9O
Molecular Weight902.63 g/mol
Exact Mass901.99
IUPAC NameN,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CNC(C)C
InChIInChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C4H11N.3CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4(2)5-3;;;/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3*1H4
InChIKeyVFMSJAYQQPHSNI-UHFFFAOYSA-N
XLogP10.32
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.63
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]but-2-yn-1-one;ethane;1-(4-methylpiperazin-1-yl)but-2-yn-1-one
CID 144717605
N,N-dimethylpropan-2-amine;2-methylbutane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158700505
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-methylpropan-1-one;2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159484961
1-(Azepan-1-yl)-3-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)butan-1-one
CID 154751732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 161284258) is N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.C.C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.CNC(C)C.
What is the InChIKey of N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is VFMSJAYQQPHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H19N.C8H18N2.C8H17N.C7H15N.C5H13N.C4H11N.3CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-5(2)6(3)4;1-4(2)5-3;;;/h8H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;5H,1-4H3;4-5H,1-3H3;3*1H4.
What are the key properties of N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 902.63 g/mol, XLogP of 10.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;methane;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 161284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).