N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide

C17H34N2O — CID 63754544

IUPACN-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(CN)CC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16(12-18)11-13(2)3/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyJNHSGOOSBKYICK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide

N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide (PubChem CID 63754544) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
PubChem CID63754544
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(CN)CC(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16(12-18)11-13(2)3/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyJNHSGOOSBKYICK-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 126843797
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-(1-amino-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119586427
4-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 103799364
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide (CID 63754544) is N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC(CN)CC(C)C)CC1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is JNHSGOOSBKYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-6-14-7-9-15(10-8-14)17(20)19-16(12-18)11-13(2)3/h13-16H,4-12,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 63754544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).