(3-phenylcyclohex-2-en-1-yl)methanamine

C13H17N — CID 24807391

IUPAC(3-phenylcyclohex-2-en-1-yl)methanamine
SMILESNCC1C=C(c2ccccc2)CCC1
InChIInChI=1S/C13H17N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-3,6-7,9,11H,4-5,8,10,14H2
InChIKeyKGCXZHZZMRZNLO-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.83
Rot. Bonds2

About (3-phenylcyclohex-2-en-1-yl)methanamine

(3-phenylcyclohex-2-en-1-yl)methanamine (PubChem CID 24807391) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3-phenylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(3-phenylcyclohex-2-en-1-yl)methanamine
PubChem CID24807391
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3-phenylcyclohex-2-en-1-yl)methanamine
SMILESNCC1C=C(c2ccccc2)CCC1
InChIInChI=1S/C13H17N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-3,6-7,9,11H,4-5,8,10,14H2
InChIKeyKGCXZHZZMRZNLO-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-phenylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of (3-phenylcyclohex-2-en-1-yl)methanamine (CID 24807391) is (3-phenylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (3-phenylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (3-phenylcyclohex-2-en-1-yl)methanamine is NCC1C=C(c2ccccc2)CCC1.
What is the InChIKey of (3-phenylcyclohex-2-en-1-yl)methanamine?
The InChIKey is KGCXZHZZMRZNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-3,6-7,9,11H,4-5,8,10,14H2.
What are the key properties of (3-phenylcyclohex-2-en-1-yl)methanamine?
(3-phenylcyclohex-2-en-1-yl)methanamine has a molecular weight of 187.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 24807391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).