N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine

C10H18ClN — CID 60688914

IUPACN-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCCC1C
InChIInChI=1S/C10H18ClN/c1-8-5-3-4-6-10(8)12-7-9(2)11/h8,10,12H,2-7H2,1H3
InChIKeyPDKAIERCAHIUDQ-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.91
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine

N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine (PubChem CID 60688914) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
PubChem CID60688914
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC NameN-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
SMILESC=C(Cl)CNC1CCCCC1C
InChIInChI=1S/C10H18ClN/c1-8-5-3-4-6-10(8)12-7-9(2)11/h8,10,12H,2-7H2,1H3
InChIKeyPDKAIERCAHIUDQ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine 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-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine
CID 130171656
2-methyl-N-(2-methylidenebutyl)cyclopentan-1-amine
CID 66044515
N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine
CID 130614419
2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
CID 104926955
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
CID 28582368
N-tert-butyl-2-[(2-methylcyclohexyl)amino]acetamide
CID 43179946
2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
CID 131015397
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
(1S,6R)-N-(2-chloroprop-2-enyl)-8,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 103902378
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine (CID 60688914) is N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine is C=C(Cl)CNC1CCCCC1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine?
The InChIKey is PDKAIERCAHIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-8-5-3-4-6-10(8)12-7-9(2)11/h8,10,12H,2-7H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine?
N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine has a molecular weight of 187.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 60688914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).