3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine

C12H23N — CID 79348258

IUPAC3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=CC1CCCCC1
InChIInChI=1S/C12H23N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h6,9,11-13H,3-5,7-8,10H2,1-2H3
InChIKeyOBQZCHKMRAGMPU-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine

3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79348258) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79348258
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NCC=CC1CCCCC1
InChIInChI=1S/C12H23N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h6,9,11-13H,3-5,7-8,10H2,1-2H3
InChIKeyOBQZCHKMRAGMPU-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190
(E)-3-cyclohexyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 73334860
[(E)-but-1-enyl]cyclodecane
CID 173272598
(E)-3-(5-methyloxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82840078
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
CID 171552385
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212
3-cyclopentylprop-2-en-1-amine
CID 54310760
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
4-chlorobut-1-enylcyclohexane
CID 72770329

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine (CID 79348258) is 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine is CC(C)NCC=CC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is OBQZCHKMRAGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h6,9,11-13H,3-5,7-8,10H2,1-2H3.
What are the key properties of 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine?
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79348258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).