N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide

C13H26N2O — CID 156687038

IUPACN-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)CC1CCCC1
InChIInChI=1S/C13H26N2O/c1-12(16)15(3)10-6-9-14(2)11-13-7-4-5-8-13/h13H,4-11H2,1-3H3
InChIKeyTXGBLRIXECJRGU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds6

About N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide

N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide (PubChem CID 156687038) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
PubChem CID156687038
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)CC1CCCC1
InChIInChI=1S/C13H26N2O/c1-12(16)15(3)10-6-9-14(2)11-13-7-4-5-8-13/h13H,4-11H2,1-3H3
InChIKeyTXGBLRIXECJRGU-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide (CID 156687038) is N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide is CC(=O)N(C)CCCN(C)CC1CCCC1.
What is the InChIKey of N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide?
The InChIKey is TXGBLRIXECJRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(16)15(3)10-6-9-14(2)11-13-7-4-5-8-13/h13H,4-11H2,1-3H3.
What are the key properties of N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide?
N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide is sourced from PubChem (CID 156687038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).