2,6-diaminohexanoic acid;diphenylmethanamine

C19H27N3O2 — CID 78006894

IUPAC2,6-diaminohexanoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.NCCCCC(N)C(=O)O
InChIInChI=1S/C13H13N.C6H14N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3-5(8)6(9)10/h1-10,13H,14H2;5H,1-4,7-8H2,(H,9,10)
InChIKeyIWSBPWREJLUEAP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.26
Rot. Bonds7

About 2,6-diaminohexanoic acid;diphenylmethanamine

2,6-diaminohexanoic acid;diphenylmethanamine (PubChem CID 78006894) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;diphenylmethanamine.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;diphenylmethanamine
PubChem CID78006894
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2,6-diaminohexanoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.NCCCCC(N)C(=O)O
InChIInChI=1S/C13H13N.C6H14N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3-5(8)6(9)10/h1-10,13H,14H2;5H,1-4,7-8H2,(H,9,10)
InChIKeyIWSBPWREJLUEAP-UHFFFAOYSA-N
XLogP2.26
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-diaminohexanoic acid;diphenylmethanamine 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

(2S)-2,6-diaminohexanoic acid;2-phenylpropanoic acid
CID 175701215
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;diphenylmethanamine?
The IUPAC name of 2,6-diaminohexanoic acid;diphenylmethanamine (CID 78006894) is 2,6-diaminohexanoic acid;diphenylmethanamine.
What is the SMILES notation for 2,6-diaminohexanoic acid;diphenylmethanamine?
The canonical SMILES for 2,6-diaminohexanoic acid;diphenylmethanamine is NC(c1ccccc1)c1ccccc1.NCCCCC(N)C(=O)O.
What is the InChIKey of 2,6-diaminohexanoic acid;diphenylmethanamine?
The InChIKey is IWSBPWREJLUEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C6H14N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-2-1-3-5(8)6(9)10/h1-10,13H,14H2;5H,1-4,7-8H2,(H,9,10).
What are the key properties of 2,6-diaminohexanoic acid;diphenylmethanamine?
2,6-diaminohexanoic acid;diphenylmethanamine has a molecular weight of 329.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;diphenylmethanamine is sourced from PubChem (CID 78006894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).