(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane

C24H43N — CID 143834115

IUPAC(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane
SMILESCC.CC.CCCNC(CCc1ccccc1)/C(C)=C/C=C(\C)CC
InChIInChI=1S/C20H31N.2C2H6/c1-5-16-21-20(18(4)13-12-17(3)6-2)15-14-19-10-8-7-9-11-19;2*1-2/h7-13,20-21H,5-6,14-16H2,1-4H3;2*1-2H3/b17-12+,18-13+;;
InChIKeyAZZUUMSPRWXWOQ-IBGYSACPSA-N
MW345.62 g/mol
LogP7.34
Rot. Bonds9

About (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane

(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane (PubChem CID 143834115) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane.

Molecular Properties

Compound Name(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane
PubChem CID143834115
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane
SMILESCC.CC.CCCNC(CCc1ccccc1)/C(C)=C/C=C(\C)CC
InChIInChI=1S/C20H31N.2C2H6/c1-5-16-21-20(18(4)13-12-17(3)6-2)15-14-19-10-8-7-9-11-19;2*1-2/h7-13,20-21H,5-6,14-16H2,1-4H3;2*1-2H3/b17-12+,18-13+;;
InChIKeyAZZUUMSPRWXWOQ-IBGYSACPSA-N
XLogP7.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide
CID 22901016
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
CID 79298844
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane?
The IUPAC name of (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane (CID 143834115) is (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane.
What is the SMILES notation for (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane?
The canonical SMILES for (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane is CC.CC.CCCNC(CCc1ccccc1)/C(C)=C/C=C(\C)CC.
What is the InChIKey of (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane?
The InChIKey is AZZUUMSPRWXWOQ-IBGYSACPSA-N. The full InChI is InChI=1S/C20H31N.2C2H6/c1-5-16-21-20(18(4)13-12-17(3)6-2)15-14-19-10-8-7-9-11-19;2*1-2/h7-13,20-21H,5-6,14-16H2,1-4H3;2*1-2H3/b17-12+,18-13+;;.
What are the key properties of (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane?
(4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane has a molecular weight of 345.62 g/mol, XLogP of 7.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4,7-dimethyl-1-phenyl-N-propylnona-4,6-dien-3-amine;ethane is sourced from PubChem (CID 143834115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).