N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride

C15H31ClN2O — CID 119599741

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,11-16)17-14(18)13-8-6-4-5-7-9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyFCYHSARJEBFNQF-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.26
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride (PubChem CID 119599741) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
PubChem CID119599741
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,11-16)17-14(18)13-8-6-4-5-7-9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyFCYHSARJEBFNQF-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119599783
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119597716
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104520835
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893424
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
CID 119599815

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride (CID 119599741) is N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)C1CCCCCC1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride?
The InChIKey is FCYHSARJEBFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-12(2)10-15(3,11-16)17-14(18)13-8-6-4-5-7-9-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride is sourced from PubChem (CID 119599741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).