(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine

C18H27N — CID 89189578

IUPAC(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine
SMILESCC1(CCc2cccc(/C=C/CN)c2)CCCCC1
InChIInChI=1S/C18H27N/c1-18(11-3-2-4-12-18)13-10-17-8-5-7-16(15-17)9-6-14-19/h5-9,15H,2-4,10-14,19H2,1H3/b9-6+
InChIKeyLYGLQEQDJSHCRJ-RMKNXTFCSA-N
MW257.42 g/mol
LogP4.56
Rot. Bonds5

About (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine

(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine (PubChem CID 89189578) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine
PubChem CID89189578
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine
SMILESCC1(CCc2cccc(/C=C/CN)c2)CCCCC1
InChIInChI=1S/C18H27N/c1-18(11-3-2-4-12-18)13-10-17-8-5-7-16(15-17)9-6-14-19/h5-9,15H,2-4,10-14,19H2,1H3/b9-6+
InChIKeyLYGLQEQDJSHCRJ-RMKNXTFCSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine (CID 89189578) is (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine is CC1(CCc2cccc(/C=C/CN)c2)CCCCC1.
What is the InChIKey of (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine?
The InChIKey is LYGLQEQDJSHCRJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H27N/c1-18(11-3-2-4-12-18)13-10-17-8-5-7-16(15-17)9-6-14-19/h5-9,15H,2-4,10-14,19H2,1H3/b9-6+.
What are the key properties of (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine?
(E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[2-(1-methylcyclohexyl)ethyl]phenyl]prop-2-en-1-amine is sourced from PubChem (CID 89189578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).