(2-pent-4-enylcyclohexyl)methanamine

C12H23N — CID 81010677

IUPAC(2-pent-4-enylcyclohexyl)methanamine
SMILESC=CCCCC1CCCCC1CN
InChIInChI=1S/C12H23N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2,11-12H,1,3-10,13H2
InChIKeyPJOBMSSFVVOZSA-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds5

About (2-pent-4-enylcyclohexyl)methanamine

(2-pent-4-enylcyclohexyl)methanamine (PubChem CID 81010677) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2-pent-4-enylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-pent-4-enylcyclohexyl)methanamine
PubChem CID81010677
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2-pent-4-enylcyclohexyl)methanamine
SMILESC=CCCCC1CCCCC1CN
InChIInChI=1S/C12H23N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2,11-12H,1,3-10,13H2
InChIKeyPJOBMSSFVVOZSA-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
1-Cyclohexylpent-4-en-1-amine
CID 64298707
Diallyloctylamine
CID 87161058
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
CID 54597401
1-Cyclohexylprop-2-enylazanium chloride
CID 134847717
[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
CID 134963376
(1S)-1-cyclohexylbut-3-en-1-amine;hydrochloride
CID 178251160
1-[2-(Trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108364
1-[2-(Trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 113686754
2-(1,3,3,5,5-Pentamethylcyclohexyl)pent-4-en-1-amine
CID 10149177

Frequently Asked Questions

What is the IUPAC name of (2-pent-4-enylcyclohexyl)methanamine?
The IUPAC name of (2-pent-4-enylcyclohexyl)methanamine (CID 81010677) is (2-pent-4-enylcyclohexyl)methanamine.
What is the SMILES notation for (2-pent-4-enylcyclohexyl)methanamine?
The canonical SMILES for (2-pent-4-enylcyclohexyl)methanamine is C=CCCCC1CCCCC1CN.
What is the InChIKey of (2-pent-4-enylcyclohexyl)methanamine?
The InChIKey is PJOBMSSFVVOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2,11-12H,1,3-10,13H2.
What are the key properties of (2-pent-4-enylcyclohexyl)methanamine?
(2-pent-4-enylcyclohexyl)methanamine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pent-4-enylcyclohexyl)methanamine is sourced from PubChem (CID 81010677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).