4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine

C17H25NO — CID 20976404

IUPAC4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine
SMILESC=CC(N)C(C)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-3-17(18)13(2)14-9-11-16(12-10-14)19-15-7-5-4-6-8-15/h3,9-13,15,17H,1,4-8,18H2,2H3
InChIKeyYNJPZZAAZVWUCC-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine

4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine (PubChem CID 20976404) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine.

Molecular Properties

Compound Name4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine
PubChem CID20976404
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine
SMILESC=CC(N)C(C)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-3-17(18)13(2)14-9-11-16(12-10-14)19-15-7-5-4-6-8-15/h3,9-13,15,17H,1,4-8,18H2,2H3
InChIKeyYNJPZZAAZVWUCC-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine?
The IUPAC name of 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine (CID 20976404) is 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine.
What is the SMILES notation for 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine?
The canonical SMILES for 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine is C=CC(N)C(C)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine?
The InChIKey is YNJPZZAAZVWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-17(18)13(2)14-9-11-16(12-10-14)19-15-7-5-4-6-8-15/h3,9-13,15,17H,1,4-8,18H2,2H3.
What are the key properties of 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine?
4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine has a molecular weight of 259.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine is sourced from PubChem (CID 20976404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).