N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine

C38H42N2 — CID 139124078

IUPACN-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine
SMILESCC/C=C(/CC)N=C(c1ccccc1)c1ccccc1.CC/C=C(/CC)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H21N/c2*1-3-11-18(4-2)20-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h2*5-15H,3-4H2,1-2H3/b2*18-11-
InChIKeyDYCAKSHTIIRIGN-ZEPWNIQXSA-N
MW526.77 g/mol
LogP10.46
Rot. Bonds10

About N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine

N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine (PubChem CID 139124078) has the molecular formula C38H42N2 and a molecular weight of 526.77 g/mol. Its IUPAC name is N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine
PubChem CID139124078
Molecular FormulaC38H42N2
Molecular Weight526.77 g/mol
Exact Mass526.33
IUPAC NameN-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine
SMILESCC/C=C(/CC)N=C(c1ccccc1)c1ccccc1.CC/C=C(/CC)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H21N/c2*1-3-11-18(4-2)20-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h2*5-15H,3-4H2,1-2H3/b2*18-11-
InChIKeyDYCAKSHTIIRIGN-ZEPWNIQXSA-N
XLogP10.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine (CID 139124078) is N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine is CC/C=C(/CC)N=C(c1ccccc1)c1ccccc1.CC/C=C(/CC)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine?
The InChIKey is DYCAKSHTIIRIGN-ZEPWNIQXSA-N. The full InChI is InChI=1S/2C19H21N/c2*1-3-11-18(4-2)20-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h2*5-15H,3-4H2,1-2H3/b2*18-11-.
What are the key properties of N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine?
N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine has a molecular weight of 526.77 g/mol, XLogP of 10.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-3-en-3-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 139124078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).