2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline

C36H45N3 — CID 91277240

IUPAC2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline
SMILESCCCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(C(N)(CC)CC)nc2)c1
InChIInChI=1S/C36H45N3/c1-6-9-16-25-35(4,5)29-22-23-33(39(30-17-12-10-13-18-30)31-19-14-11-15-20-31)32(26-29)28-21-24-34(38-27-28)36(37,7-2)8-3/h10-15,17-24,26-27H,6-9,16,25,37H2,1-5H3
InChIKeyOIUUIADTPRDRDS-UHFFFAOYSA-N
MW519.78 g/mol
LogP10.05
Rot. Bonds12

About 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline

2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline (PubChem CID 91277240) has the molecular formula C36H45N3 and a molecular weight of 519.78 g/mol. Its IUPAC name is 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline
PubChem CID91277240
Molecular FormulaC36H45N3
Molecular Weight519.78 g/mol
Exact Mass519.36
IUPAC Name2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline
SMILESCCCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(C(N)(CC)CC)nc2)c1
InChIInChI=1S/C36H45N3/c1-6-9-16-25-35(4,5)29-22-23-33(39(30-17-12-10-13-18-30)31-19-14-11-15-20-31)32(26-29)28-21-24-34(38-27-28)36(37,7-2)8-3/h10-15,17-24,26-27H,6-9,16,25,37H2,1-5H3
InChIKeyOIUUIADTPRDRDS-UHFFFAOYSA-N
XLogP10.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.78
LogP ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline (CID 91277240) is 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline is CCCCCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(C(N)(CC)CC)nc2)c1.
What is the InChIKey of 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline?
The InChIKey is OIUUIADTPRDRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3/c1-6-9-16-25-35(4,5)29-22-23-33(39(30-17-12-10-13-18-30)31-19-14-11-15-20-31)32(26-29)28-21-24-34(38-27-28)36(37,7-2)8-3/h10-15,17-24,26-27H,6-9,16,25,37H2,1-5H3.
What are the key properties of 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline?
2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline has a molecular weight of 519.78 g/mol, XLogP of 10.05, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 91277240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).