N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one

C41H86N6O — CID 167662102

IUPACN-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.2C8H17N.C7H13NO/c1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeySCEBTAVBGUVGTH-UHFFFAOYSA-N
MW679.18 g/mol
LogP7.98
Rot. Bonds6

About N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one

N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one (PubChem CID 167662102) has the molecular formula C41H86N6O and a molecular weight of 679.18 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
PubChem CID167662102
Molecular FormulaC41H86N6O
Molecular Weight679.18 g/mol
Exact Mass678.69
IUPAC NameN-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.2C8H17N.C7H13NO/c1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeySCEBTAVBGUVGTH-UHFFFAOYSA-N
XLogP7.98
TPSA45.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.18
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[1-(3-Methylpiperidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 123181827
2-methyl-N-[(1R,5S)-3-methyl-3-azabicyclo[3.1.1]heptan-6-yl]-4-[(1R,5S)-6-(2-methylpropanoylamino)-3-azabicyclo[3.1.1]heptan-3-yl]butanamide
CID 134565754
N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 158140262
1-Methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
CID 158191861
Methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
CID 162061988
ethane;N-ethyl-1-methylpiperidine-4-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)propanamide
CID 166075805
[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 166948032
N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 167018689
N-[[1-(1-ethylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 167018836
1-[1-[1-[4-(Methylamino)butyl]piperidin-4-yl]piperidin-4-yl]piperidine-4-carboxamide
CID 169631482
[1-[(1-Methylpiperidin-4-yl)methyl]piperidin-4-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 170084146
[1-Methyl-1-(piperidin-4-ylmethyl)piperidin-1-ium-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 172499501

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one (CID 167662102) is N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The InChIKey is SCEBTAVBGUVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.2C8H17N.C7H13NO/c1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one has a molecular weight of 679.18 g/mol, XLogP of 7.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 167662102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).