2,6-diaminohexanoic acid;7H-purin-6-amine

C11H19N7O2 — CID 174798775

IUPAC2,6-diaminohexanoic acid;7H-purin-6-amine
SMILESNCCCCC(N)C(=O)O.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H14N2O2.C5H5N5/c7-4-2-1-3-5(8)6(9)10;6-4-3-5(9-1-7-3)10-2-8-4/h5H,1-4,7-8H2,(H,9,10);1-2H,(H3,6,7,8,9,10)
InChIKeySFHDQGKFELTHCL-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.54
Rot. Bonds5

About 2,6-diaminohexanoic acid;7H-purin-6-amine

2,6-diaminohexanoic acid;7H-purin-6-amine (PubChem CID 174798775) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,6-diaminohexanoic acid;7H-purin-6-amine.

Molecular Properties

Compound Name2,6-diaminohexanoic acid;7H-purin-6-amine
PubChem CID174798775
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2,6-diaminohexanoic acid;7H-purin-6-amine
SMILESNCCCCC(N)C(=O)O.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C6H14N2O2.C5H5N5/c7-4-2-1-3-5(8)6(9)10;6-4-3-5(9-1-7-3)10-2-8-4/h5H,1-4,7-8H2,(H,9,10);1-2H,(H3,6,7,8,9,10)
InChIKeySFHDQGKFELTHCL-UHFFFAOYSA-N
XLogP-0.54
TPSA169.82 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,6-diaminohexanoic acid;7H-purin-6-amine 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

2-amino-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 87633644
2-amino-4-(7H-purin-6-yl)butanoic acid
CID 69404868
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
octadecanoic acid;7H-purin-6-amine
CID 141436047
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
(2S)-2,6-diaminohexanoic acid;propanedioic acid
CID 87251184
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
benzamide;7H-purin-6-amine
CID 66705736
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminohexanoic acid;7H-purin-6-amine?
The IUPAC name of 2,6-diaminohexanoic acid;7H-purin-6-amine (CID 174798775) is 2,6-diaminohexanoic acid;7H-purin-6-amine.
What is the SMILES notation for 2,6-diaminohexanoic acid;7H-purin-6-amine?
The canonical SMILES for 2,6-diaminohexanoic acid;7H-purin-6-amine is NCCCCC(N)C(=O)O.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 2,6-diaminohexanoic acid;7H-purin-6-amine?
The InChIKey is SFHDQGKFELTHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H5N5/c7-4-2-1-3-5(8)6(9)10;6-4-3-5(9-1-7-3)10-2-8-4/h5H,1-4,7-8H2,(H,9,10);1-2H,(H3,6,7,8,9,10).
What are the key properties of 2,6-diaminohexanoic acid;7H-purin-6-amine?
2,6-diaminohexanoic acid;7H-purin-6-amine has a molecular weight of 281.32 g/mol, XLogP of -0.54, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminohexanoic acid;7H-purin-6-amine is sourced from PubChem (CID 174798775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).