(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine

C17H25N — CID 82085289

IUPAC(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25N/c1-14(6-5-13-18)15-9-11-17(12-10-15)16-7-3-2-4-8-16/h6,9-12,16H,2-5,7-8,13,18H2,1H3/b14-6+
InChIKeyXYDABIGNTFSSJA-MKMNVTDBSA-N
MW243.39 g/mol
LogP4.49
Rot. Bonds4

About (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine

(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine (PubChem CID 82085289) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine
PubChem CID82085289
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25N/c1-14(6-5-13-18)15-9-11-17(12-10-15)16-7-3-2-4-8-16/h6,9-12,16H,2-5,7-8,13,18H2,1H3/b14-6+
InChIKeyXYDABIGNTFSSJA-MKMNVTDBSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(4-cyclohexylphenoxy)ethanamine
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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine (CID 82085289) is (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine is C/C(=C\CCN)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine?
The InChIKey is XYDABIGNTFSSJA-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H25N/c1-14(6-5-13-18)15-9-11-17(12-10-15)16-7-3-2-4-8-16/h6,9-12,16H,2-5,7-8,13,18H2,1H3/b14-6+.
What are the key properties of (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine?
(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 82085289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).