2-[(4-ethylcyclohexyl)methylamino]butanamide

C13H26N2O — CID 62901748

IUPAC2-[(4-ethylcyclohexyl)methylamino]butanamide
SMILESCCC1CCC(CNC(CC)C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-10-5-7-11(8-6-10)9-15-12(4-2)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYVMKFRCAZBPZNS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)methylamino]butanamide

2-[(4-ethylcyclohexyl)methylamino]butanamide (PubChem CID 62901748) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methylamino]butanamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methylamino]butanamide
PubChem CID62901748
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(4-ethylcyclohexyl)methylamino]butanamide
SMILESCCC1CCC(CNC(CC)C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-10-5-7-11(8-6-10)9-15-12(4-2)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYVMKFRCAZBPZNS-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxycyclopentyl)methylamino]butanamide
CID 106129414
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
CID 66430872
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
2-(2-cyclobutylethylamino)butanamide
CID 115688602
4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
CID 115892601
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]butanamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]butanamide (CID 62901748) is 2-[(4-ethylcyclohexyl)methylamino]butanamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methylamino]butanamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methylamino]butanamide is CCC1CCC(CNC(CC)C(N)=O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methylamino]butanamide?
The InChIKey is YVMKFRCAZBPZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-10-5-7-11(8-6-10)9-15-12(4-2)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(4-ethylcyclohexyl)methylamino]butanamide?
2-[(4-ethylcyclohexyl)methylamino]butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)methylamino]butanamide is sourced from PubChem (CID 62901748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).