(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine

C23H29N — CID 167095024

IUPAC(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine
SMILESC=C(C)C(N)C/C(=C/C)c1cc(CCc2ccccc2)ccc1C
InChIInChI=1S/C23H29N/c1-5-21(16-23(24)17(2)3)22-15-20(12-11-18(22)4)14-13-19-9-7-6-8-10-19/h5-12,15,23H,2,13-14,16,24H2,1,3-4H3/b21-5-
InChIKeyYRZTURISJMEYKC-SQFVCTCFSA-N
MW319.49 g/mol
LogP5.48
Rot. Bonds7

About (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine

(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine (PubChem CID 167095024) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine
PubChem CID167095024
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine
SMILESC=C(C)C(N)C/C(=C/C)c1cc(CCc2ccccc2)ccc1C
InChIInChI=1S/C23H29N/c1-5-21(16-23(24)17(2)3)22-15-20(12-11-18(22)4)14-13-19-9-7-6-8-10-19/h5-12,15,23H,2,13-14,16,24H2,1,3-4H3/b21-5-
InChIKeyYRZTURISJMEYKC-SQFVCTCFSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine with MolForge

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Related Compounds

2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
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3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol
CID 163016308
(2E)-2-(2-methyl-5-propylphenyl)penta-2,4-dien-1-ol
CID 89354986
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
[4-methyl-3-(2-phenylethyl)phenyl]methanamine
CID 134425806
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
(Z)-2-methyl-4-(2-methylphenyl)hex-4-enamide
CID 142370556
but-2-enylbenzene;3-methylbut-3-enylbenzene
CID 157229371

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine?
The IUPAC name of (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine (CID 167095024) is (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine.
What is the SMILES notation for (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine?
The canonical SMILES for (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine is C=C(C)C(N)C/C(=C/C)c1cc(CCc2ccccc2)ccc1C.
What is the InChIKey of (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine?
The InChIKey is YRZTURISJMEYKC-SQFVCTCFSA-N. The full InChI is InChI=1S/C23H29N/c1-5-21(16-23(24)17(2)3)22-15-20(12-11-18(22)4)14-13-19-9-7-6-8-10-19/h5-12,15,23H,2,13-14,16,24H2,1,3-4H3/b21-5-.
What are the key properties of (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine?
(5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine has a molecular weight of 319.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-5-[2-methyl-5-(2-phenylethyl)phenyl]hepta-1,5-dien-3-amine is sourced from PubChem (CID 167095024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).