N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine

C30H39N — CID 146245735

IUPACN-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine
SMILESC=CC(=C\C)/C(/C=C\C(=C)c1cccc(/C(C=C)=C/C)c1)=C(/C)NC1CCCC(C)C1
InChIInChI=1S/C30H39N/c1-8-25(9-2)28-16-13-15-27(21-28)23(6)18-19-30(26(10-3)11-4)24(7)31-29-17-12-14-22(5)20-29/h8-11,13,15-16,18-19,21-22,29,31H,1,3,6,12,14,17,20H2,2,4-5,7H3/b19-18-,25-9+,26-11+,30-24-
InChIKeyIFICKLYCKCPWBO-OHVBPKPWSA-N
MW413.65 g/mol
LogP8.42
Rot. Bonds9

About N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine

N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine (PubChem CID 146245735) has the molecular formula C30H39N and a molecular weight of 413.65 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine
PubChem CID146245735
Molecular FormulaC30H39N
Molecular Weight413.65 g/mol
Exact Mass413.31
IUPAC NameN-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine
SMILESC=CC(=C\C)/C(/C=C\C(=C)c1cccc(/C(C=C)=C/C)c1)=C(/C)NC1CCCC(C)C1
InChIInChI=1S/C30H39N/c1-8-25(9-2)28-16-13-15-27(21-28)23(6)18-19-30(26(10-3)11-4)24(7)31-29-17-12-14-22(5)20-29/h8-11,13,15-16,18-19,21-22,29,31H,1,3,6,12,14,17,20H2,2,4-5,7H3/b19-18-,25-9+,26-11+,30-24-
InChIKeyIFICKLYCKCPWBO-OHVBPKPWSA-N
XLogP8.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine with MolForge

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Related Compounds

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CID 100850116
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
2-[(3-methylcyclohexyl)amino]pyridine-4-carbothioamide
CID 43370621
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine (CID 146245735) is N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine is C=CC(=C\C)/C(/C=C\C(=C)c1cccc(/C(C=C)=C/C)c1)=C(/C)NC1CCCC(C)C1.
What is the InChIKey of N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine?
The InChIKey is IFICKLYCKCPWBO-OHVBPKPWSA-N. The full InChI is InChI=1S/C30H39N/c1-8-25(9-2)28-16-13-15-27(21-28)23(6)18-19-30(26(10-3)11-4)24(7)31-29-17-12-14-22(5)20-29/h8-11,13,15-16,18-19,21-22,29,31H,1,3,6,12,14,17,20H2,2,4-5,7H3/b19-18-,25-9+,26-11+,30-24-.
What are the key properties of N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine?
N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine has a molecular weight of 413.65 g/mol, XLogP of 8.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-[(E)-1-ethenylprop-1-enyl]-6-[3-[(E)-1-ethenylprop-1-enyl]phenyl]hepta-2,4,6-trien-2-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 146245735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).