N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine

C32H40N2 — CID 153355251

IUPACN-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine
SMILESCNCCCCCCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CNC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2/c1-33-25-7-5-3-4-6-8-27-9-11-28(12-10-27)13-14-29-15-17-30(18-16-29)19-20-31-21-23-32(24-22-31)26-34-2/h9-24,33-34H,3-8,25-26H2,1-2H3/b14-13+,20-19+
InChIKeyKUYMSQIKKYWFAW-CINXTQGDSA-N
MW452.69 g/mol
LogP7.46
Rot. Bonds14

About N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine

N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine (PubChem CID 153355251) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine.

Molecular Properties

Compound NameN-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine
PubChem CID153355251
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC NameN-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine
SMILESCNCCCCCCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CNC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2/c1-33-25-7-5-3-4-6-8-27-9-11-28(12-10-27)13-14-29-15-17-30(18-16-29)19-20-31-21-23-32(24-22-31)26-34-2/h9-24,33-34H,3-8,25-26H2,1-2H3/b14-13+,20-19+
InChIKeyKUYMSQIKKYWFAW-CINXTQGDSA-N
XLogP7.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 65308799
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N-methyl-9-phenylnonan-1-amine
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ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
4-[[4-[4-(methylamino)butyl]phenyl]methyl]benzonitrile
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1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
N'-[[4-[(E)-2-[3-[(E)-2-[4-(4-aminobutyl)phenyl]ethenyl]-5-[(E)-2-[4-[(2-aminoethylamino)methyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl]ethane-1,2-diamine
CID 158637480
N-methyl-2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]ethanamine
CID 163440322
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
CID 65308641
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine?
The IUPAC name of N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine (CID 153355251) is N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine.
What is the SMILES notation for N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine?
The canonical SMILES for N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine is CNCCCCCCCc1ccc(/C=C/c2ccc(/C=C/c3ccc(CNC)cc3)cc2)cc1.
What is the InChIKey of N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine?
The InChIKey is KUYMSQIKKYWFAW-CINXTQGDSA-N. The full InChI is InChI=1S/C32H40N2/c1-33-25-7-5-3-4-6-8-27-9-11-28(12-10-27)13-14-29-15-17-30(18-16-29)19-20-31-21-23-32(24-22-31)26-34-2/h9-24,33-34H,3-8,25-26H2,1-2H3/b14-13+,20-19+.
What are the key properties of N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine?
N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine has a molecular weight of 452.69 g/mol, XLogP of 7.46, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[4-[(E)-2-[4-[(E)-2-[4-(methylaminomethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]heptan-1-amine is sourced from PubChem (CID 153355251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).