2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline

C19H18N2 — CID 10802293

IUPAC2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline
SMILESNc1ccccc1C#CCCCC#Cc1ccccc1N
InChIInChI=1S/C19H18N2/c20-18-14-8-6-12-16(18)10-4-2-1-3-5-11-17-13-7-9-15-19(17)21/h6-9,12-15H,1-3,20-21H2
InChIKeyLOMSKJJIGYGSIT-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.42
Rot. Bonds2

About 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline

2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline (PubChem CID 10802293) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline.

Molecular Properties

Compound Name2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline
PubChem CID10802293
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline
SMILESNc1ccccc1C#CCCCC#Cc1ccccc1N
InChIInChI=1S/C19H18N2/c20-18-14-8-6-12-16(18)10-4-2-1-3-5-11-17-13-7-9-15-19(17)21/h6-9,12-15H,1-3,20-21H2
InChIKeyLOMSKJJIGYGSIT-UHFFFAOYSA-N
XLogP3.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminophenyl)but-3-ynenitrile
CID 91875015
8-(2-aminophenyl)octa-5,7-diyn-1-ol
CID 102197166
2-[2-[2-[2-(2-pent-1-ynylphenyl)ethynyl]thiophen-3-yl]ethynyl]aniline
CID 56650488
1,2-bis(oct-1-ynyl)benzene
CID 11087701
2-[4-(4-phenylpiperidin-1-yl)but-1-ynyl]aniline
CID 18427933
N-[5-(2-aminophenyl)pent-4-ynyl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 87319471
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
4-[2-(4-sulfanylbut-1-ynyl)phenyl]but-3-yne-1-thiol
CID 102107477
6-[2-(trifluoromethoxy)phenyl]hex-5-yn-1-amine
CID 114158372
5-chloro-2-[2-[2-[2-(2-pent-1-ynylphenyl)ethynyl]phenyl]ethynyl]aniline
CID 56651169
9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate
CID 170460214
1-(5-chloropent-1-ynyl)-2-methylbenzene
CID 112554310

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline?
The IUPAC name of 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline (CID 10802293) is 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline.
What is the SMILES notation for 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline?
The canonical SMILES for 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline is Nc1ccccc1C#CCCCC#Cc1ccccc1N.
What is the InChIKey of 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline?
The InChIKey is LOMSKJJIGYGSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-18-14-8-6-12-16(18)10-4-2-1-3-5-11-17-13-7-9-15-19(17)21/h6-9,12-15H,1-3,20-21H2.
What are the key properties of 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline?
2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline has a molecular weight of 274.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-aminophenyl)hepta-1,6-diynyl]aniline is sourced from PubChem (CID 10802293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).