3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride

C10H21ClN2O — CID 167733793

IUPAC3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-7(2)12-10(13)8-4-3-5-9(11)6-8;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyVXKANBPQOIACNX-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 167733793) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID167733793
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-7(2)12-10(13)8-4-3-5-9(11)6-8;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H
InChIKeyVXKANBPQOIACNX-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride (CID 167733793) is 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride is CC(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VXKANBPQOIACNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-7(2)12-10(13)8-4-3-5-9(11)6-8;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 167733793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).