3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide

C15H30N2O — CID 120501833

IUPAC3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC(C)C(C)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-10(12(3)16)15(18)17-13(4)11(2)14-8-6-5-7-9-14/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyCRTUNHLRHWRLAD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

About 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide

3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide (PubChem CID 120501833) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
PubChem CID120501833
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC(C)C(C)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-10(12(3)16)15(18)17-13(4)11(2)14-8-6-5-7-9-14/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyCRTUNHLRHWRLAD-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119809032
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
CID 120504495
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
N-(3-cyclohexylbutan-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111722585
3-amino-N-(3-cyclopentyl-3-ethoxypropyl)-2-methylbutanamide;hydrochloride
CID 120502230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide (CID 120501833) is 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide is CC(N)C(C)C(=O)NC(C)C(C)C1CCCCC1.
What is the InChIKey of 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide?
The InChIKey is CRTUNHLRHWRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(12(3)16)15(18)17-13(4)11(2)14-8-6-5-7-9-14/h10-14H,5-9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide?
3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 120501833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).