2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide

C15H30N2O — CID 113440144

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)9-13(3)17-14(18)10-15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyFEXCWUPXHKYNKX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide (PubChem CID 113440144) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
PubChem CID113440144
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(C)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)9-13(3)17-14(18)10-15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyFEXCWUPXHKYNKX-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
CID 81179363
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide (CID 113440144) is 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide is CC(C)CC(C)NC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide?
The InChIKey is FEXCWUPXHKYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)9-13(3)17-14(18)10-15(11-16)7-5-4-6-8-15/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 113440144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).