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

C12H22ClN — CID 62405409

IUPACN-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine
SMILESC=C(Cl)CNC(CC)C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-3-12(14-9-10(2)13)11-7-5-4-6-8-11/h11-12,14H,2-9H2,1H3
InChIKeyWLQQAODRDZCCNQ-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.69
Rot. Bonds5

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

N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine (PubChem CID 62405409) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine
PubChem CID62405409
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine
SMILESC=C(Cl)CNC(CC)C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-3-12(14-9-10(2)13)11-7-5-4-6-8-11/h11-12,14H,2-9H2,1H3
InChIKeyWLQQAODRDZCCNQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine (CID 62405409) is N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine is C=C(Cl)CNC(CC)C1CCCCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine?
The InChIKey is WLQQAODRDZCCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-3-12(14-9-10(2)13)11-7-5-4-6-8-11/h11-12,14H,2-9H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine?
N-(2-chloroprop-2-enyl)-1-cyclohexylpropan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.69, 5 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)-1-cyclohexylpropan-1-amine is sourced from PubChem (CID 62405409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).