4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride

C8H17ClN2O — CID 47002288

IUPAC4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCNC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-10-8(11)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3,(H,10,11);1H
InChIKeyFYYVYRGJCNWVHG-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.67
Rot. Bonds1

About 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride

4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 47002288) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID47002288
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCNC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-10-8(11)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3,(H,10,11);1H
InChIKeyFYYVYRGJCNWVHG-UHFFFAOYSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 47002288) is 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride is CNC(=O)C1CCC(N)CC1.Cl.
What is the InChIKey of 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FYYVYRGJCNWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-10-8(11)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3,(H,10,11);1H.
What are the key properties of 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride?
4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 47002288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).