(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine

C18H25N — CID 166819895

IUPAC(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine
SMILESCCC(/C=C(\N)C1C=CC(C)CC1)c1ccccc1
InChIInChI=1S/C18H25N/c1-3-15(16-7-5-4-6-8-16)13-18(19)17-11-9-14(2)10-12-17/h4-9,11,13-15,17H,3,10,12,19H2,1-2H3/b18-13-
InChIKeySTFMLDDOHWATGC-AQTBWJFISA-N
MW255.40 g/mol
LogP4.63
Rot. Bonds4

About (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine

(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine (PubChem CID 166819895) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine
PubChem CID166819895
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine
SMILESCCC(/C=C(\N)C1C=CC(C)CC1)c1ccccc1
InChIInChI=1S/C18H25N/c1-3-15(16-7-5-4-6-8-16)13-18(19)17-11-9-14(2)10-12-17/h4-9,11,13-15,17H,3,10,12,19H2,1-2H3/b18-13-
InChIKeySTFMLDDOHWATGC-AQTBWJFISA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phentermine
CID 4771
Phentermine Hydrochloride
CID 70969
2-Phenylpropylamine
CID 11398
Pentorex
CID 22031
3,3-Diphenylpropylamine
CID 79698
(R)-(+)-beta-Methylphenethylamine
CID 1547949
(2S)-2-Phenylpropan-1-amine
CID 1547950
4-Phenylcyclohexylamine
CID 29897
(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine hydrochloride
CID 118483877
(1S,2R)-1-methyl-2-phenylcyclopropan-1-aminehydrochloride
CID 118712956
3-Methyl-2-phenylbutan-1-amine
CID 9880217
(S)-2-Phenylbutylamine
CID 209841

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine?
The IUPAC name of (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine (CID 166819895) is (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine.
What is the SMILES notation for (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine?
The canonical SMILES for (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine is CCC(/C=C(\N)C1C=CC(C)CC1)c1ccccc1.
What is the InChIKey of (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine?
The InChIKey is STFMLDDOHWATGC-AQTBWJFISA-N. The full InChI is InChI=1S/C18H25N/c1-3-15(16-7-5-4-6-8-16)13-18(19)17-11-9-14(2)10-12-17/h4-9,11,13-15,17H,3,10,12,19H2,1-2H3/b18-13-.
What are the key properties of (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine?
(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine is sourced from PubChem (CID 166819895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).