N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride

C13H27ClN2O — CID 119260890

IUPACN-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)8-12(9-14)15-13(16)11-6-4-3-5-7-11;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyBLJVJUDWDGAYGB-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride (PubChem CID 119260890) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
PubChem CID119260890
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)8-12(9-14)15-13(16)11-6-4-3-5-7-11;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyBLJVJUDWDGAYGB-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride (CID 119260890) is N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride?
The InChIKey is BLJVJUDWDGAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)8-12(9-14)15-13(16)11-6-4-3-5-7-11;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 5 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)cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119260890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).