N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine

C32H40N2 — CID 146589451

IUPACN'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine
SMILESCC/C=C(C)\C=C/C(C)N(CCN(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H40N2/c1-7-8-25(2)9-16-29(6)33(30-17-10-26(3)11-18-30)23-24-34(31-19-12-27(4)13-20-31)32-21-14-28(5)15-22-32/h8-22,29H,7,23-24H2,1-6H3/b16-9-,25-8-
InChIKeyQFMUJWDPWIRCSL-LCFCYGPASA-N
MW452.69 g/mol
LogP8.56
Rot. Bonds10

About N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine

N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine (PubChem CID 146589451) has the molecular formula C32H40N2 and a molecular weight of 452.69 g/mol. Its IUPAC name is N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine
PubChem CID146589451
Molecular FormulaC32H40N2
Molecular Weight452.69 g/mol
Exact Mass452.32
IUPAC NameN'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine
SMILESCC/C=C(C)\C=C/C(C)N(CCN(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H40N2/c1-7-8-25(2)9-16-29(6)33(30-17-10-26(3)11-18-30)23-24-34(31-19-12-27(4)13-20-31)32-21-14-28(5)15-22-32/h8-22,29H,7,23-24H2,1-6H3/b16-9-,25-8-
InChIKeyQFMUJWDPWIRCSL-LCFCYGPASA-N
XLogP8.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.69
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine (CID 146589451) is N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine is CC/C=C(C)\C=C/C(C)N(CCN(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is QFMUJWDPWIRCSL-LCFCYGPASA-N. The full InChI is InChI=1S/C32H40N2/c1-7-8-25(2)9-16-29(6)33(30-17-10-26(3)11-18-30)23-24-34(31-19-12-27(4)13-20-31)32-21-14-28(5)15-22-32/h8-22,29H,7,23-24H2,1-6H3/b16-9-,25-8-.
What are the key properties of N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine?
N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 452.69 g/mol, XLogP of 8.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 146589451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).