2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide

C13H26N2O — CID 62405592

IUPAC2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
SMILESCCC(CN)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyRASBXXHXRNVXLI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide

2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide (PubChem CID 62405592) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
PubChem CID62405592
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
SMILESCCC(CN)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyRASBXXHXRNVXLI-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
2-ethyl-N-(1-piperidin-4-ylethyl)butanamide
CID 43523212
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
CID 103950949
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide (CID 62405592) is 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide is CCC(CN)C(=O)NC(C)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide?
The InChIKey is RASBXXHXRNVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide?
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide is sourced from PubChem (CID 62405592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).