(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine

C25H33N — CID 144776232

IUPAC(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)NC)c1ccc(CCCC(CCC)c2ccccc2)cc1
InChIInChI=1S/C25H33N/c1-5-11-22(23-13-8-7-9-14-23)15-10-12-21-16-18-24(19-17-21)25(6-2)20(3)26-4/h6-9,13-14,16-19,22,26H,2,5,10-12,15H2,1,3-4H3/b25-20+
InChIKeyVMVGPGSMYYDRBU-LKUDQCMESA-N
MW347.55 g/mol
LogP6.73
Rot. Bonds10

About (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine

(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine (PubChem CID 144776232) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine
PubChem CID144776232
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)NC)c1ccc(CCCC(CCC)c2ccccc2)cc1
InChIInChI=1S/C25H33N/c1-5-11-22(23-13-8-7-9-14-23)15-10-12-21-16-18-24(19-17-21)25(6-2)20(3)26-4/h6-9,13-14,16-19,22,26H,2,5,10-12,15H2,1,3-4H3/b25-20+
InChIKeyVMVGPGSMYYDRBU-LKUDQCMESA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
3,6-diphenylhexan-1-ol
CID 54360227
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
4-(3,11-diphenyltetradecan-7-yl)benzoic acid
CID 134941596
10-phenyltetradecan-5-ylbenzene
CID 22891787
(3S)-3-[4-(9-ethyliminoundec-10-enyl)phenyl]-11-phenylundecan-1-amine
CID 174122606
1-heptan-4-yl-4-prop-1-en-2-ylbenzene
CID 144559861
oct-1-en-4-ylbenzene
CID 22247233
3-phenylundecan-1-ol
CID 101150144
icosan-10-ylbenzene
CID 54351357
1,1-diphenylhexan-3-ylbenzene
CID 57087261
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine (CID 144776232) is (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine is C=C/C(=C(/C)NC)c1ccc(CCCC(CCC)c2ccccc2)cc1.
What is the InChIKey of (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine?
The InChIKey is VMVGPGSMYYDRBU-LKUDQCMESA-N. The full InChI is InChI=1S/C25H33N/c1-5-11-22(23-13-8-7-9-14-23)15-10-12-21-16-18-24(19-17-21)25(6-2)20(3)26-4/h6-9,13-14,16-19,22,26H,2,5,10-12,15H2,1,3-4H3/b25-20+.
What are the key properties of (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine?
(2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine has a molecular weight of 347.55 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-3-[4-(4-phenylheptyl)phenyl]penta-2,4-dien-2-amine is sourced from PubChem (CID 144776232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).