N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride

C13H26ClN — CID 115680355

IUPACN-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
SMILESCCC1(CNC2CCCC(C)C2)CC1.Cl
InChIInChI=1S/C13H25N.ClH/c1-3-13(7-8-13)10-14-12-6-4-5-11(2)9-12;/h11-12,14H,3-10H2,1-2H3;1H
InChIKeyYKXWGSTUYGQLMU-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.77
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride

N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride (PubChem CID 115680355) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
PubChem CID115680355
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
SMILESCCC1(CNC2CCCC(C)C2)CC1.Cl
InChIInChI=1S/C13H25N.ClH/c1-3-13(7-8-13)10-14-12-6-4-5-11(2)9-12;/h11-12,14H,3-10H2,1-2H3;1H
InChIKeyYKXWGSTUYGQLMU-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride 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-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
3-methyl-N-[(1-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 103724489
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
3-[[(3-methylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115672584
3-cyclopropyl-N-[(1-propylcyclopropyl)methyl]cyclohexan-1-amine
CID 114099645
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylcyclopentan-1-amine
CID 114547350
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride (CID 115680355) is N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride is CCC1(CNC2CCCC(C)C2)CC1.Cl.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is YKXWGSTUYGQLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.ClH/c1-3-13(7-8-13)10-14-12-6-4-5-11(2)9-12;/h11-12,14H,3-10H2,1-2H3;1H.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 231.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 115680355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).