(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide

C12H24N2O — CID 95121560

IUPAC(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N(C)CC1CCCC1
InChIInChI=1S/C12H24N2O/c1-10(8-12(15)13-2)14(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyGEMNLOOISZSVIN-JTQLQIEISA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide

(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide (PubChem CID 95121560) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
PubChem CID95121560
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N(C)CC1CCCC1
InChIInChI=1S/C12H24N2O/c1-10(8-12(15)13-2)14(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyGEMNLOOISZSVIN-JTQLQIEISA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)propanamide
CID 62861176
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide?
The IUPAC name of (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide (CID 95121560) is (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide.
What is the SMILES notation for (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide?
The canonical SMILES for (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide is CNC(=O)C[C@H](C)N(C)CC1CCCC1.
What is the InChIKey of (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide?
The InChIKey is GEMNLOOISZSVIN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(8-12(15)13-2)14(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide?
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide is sourced from PubChem (CID 95121560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).