N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride

C14H29ClN2O — CID 119523315

IUPACN-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCC1CCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,11-15)16-13(17)10-6-9-12-7-4-3-5-8-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H
InChIKeyXZEPJPIVGVVFCE-UHFFFAOYSA-N
MW276.85 g/mol
LogP3.01
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride (PubChem CID 119523315) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
PubChem CID119523315
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCC1CCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,11-15)16-13(17)10-6-9-12-7-4-3-5-8-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H
InChIKeyXZEPJPIVGVVFCE-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119524224
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CID 119260499
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119523411
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 60520430
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
(2S,3R)-3-amino-2-(4-cyclohexylbutanoylamino)-2-hydroxy-4-methylpentanoic acid
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CID 62041962

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride (CID 119523315) is N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride is CC(C)(CN)NC(=O)CCCC1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride?
The InChIKey is XZEPJPIVGVVFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-14(2,11-15)16-13(17)10-6-9-12-7-4-3-5-8-12;/h12H,3-11,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride is sourced from PubChem (CID 119523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).