N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide

C12H24N2O — CID 107417872

IUPACN-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
SMILESCNC(=O)CCCNCC1CCCC1C
InChIInChI=1S/C12H24N2O/c1-10-5-3-6-11(10)9-14-8-4-7-12(15)13-2/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyJMYIEKGWPFYWHK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds6

About N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide

N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide (PubChem CID 107417872) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
PubChem CID107417872
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
SMILESCNC(=O)CCCNCC1CCCC1C
InChIInChI=1S/C12H24N2O/c1-10-5-3-6-11(10)9-14-8-4-7-12(15)13-2/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyJMYIEKGWPFYWHK-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
CID 107419495
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide
CID 83014404
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide?
The IUPAC name of N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide (CID 107417872) is N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide.
What is the SMILES notation for N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide?
The canonical SMILES for N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide is CNC(=O)CCCNCC1CCCC1C.
What is the InChIKey of N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide?
The InChIKey is JMYIEKGWPFYWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-5-3-6-11(10)9-14-8-4-7-12(15)13-2/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide?
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide is sourced from PubChem (CID 107417872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).