N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline

C19H18N2 — CID 174473329

IUPACN-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline
SMILESC1=CC(CN(N=Cc2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C19H18N2/c1-3-9-17(10-4-1)15-20-21(16-18-11-7-8-12-18)19-13-5-2-6-14-19/h1-15,18H,16H2
InChIKeyYIYJKWBOSQYNOK-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.27
Rot. Bonds5

About N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline

N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline (PubChem CID 174473329) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline
PubChem CID174473329
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline
SMILESC1=CC(CN(N=Cc2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C19H18N2/c1-3-9-17(10-4-1)15-20-21(16-18-11-7-8-12-18)19-13-5-2-6-14-19/h1-15,18H,16H2
InChIKeyYIYJKWBOSQYNOK-UHFFFAOYSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline?
The IUPAC name of N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline (CID 174473329) is N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline.
What is the SMILES notation for N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline?
The canonical SMILES for N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline is C1=CC(CN(N=Cc2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline?
The InChIKey is YIYJKWBOSQYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-9-17(10-4-1)15-20-21(16-18-11-7-8-12-18)19-13-5-2-6-14-19/h1-15,18H,16H2.
What are the key properties of N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline?
N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline has a molecular weight of 274.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline is sourced from PubChem (CID 174473329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).