hexane-1,6-diamine;2-methylpropanoic acid

C10H24N2O2 — CID 21426939

IUPAChexane-1,6-diamine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.NCCCCCCN
InChIInChI=1S/C6H16N2.C4H8O2/c7-5-3-1-2-4-6-8;1-3(2)4(5)6/h1-8H2;3H,1-2H3,(H,5,6)
InChIKeyWDABOXXEBCHHRR-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.19
Rot. Bonds6

About hexane-1,6-diamine;2-methylpropanoic acid

hexane-1,6-diamine;2-methylpropanoic acid (PubChem CID 21426939) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is hexane-1,6-diamine;2-methylpropanoic acid.

Molecular Properties

Compound Namehexane-1,6-diamine;2-methylpropanoic acid
PubChem CID21426939
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Namehexane-1,6-diamine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.NCCCCCCN
InChIInChI=1S/C6H16N2.C4H8O2/c7-5-3-1-2-4-6-8;1-3(2)4(5)6/h1-8H2;3H,1-2H3,(H,5,6)
InChIKeyWDABOXXEBCHHRR-UHFFFAOYSA-N
XLogP1.19
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hexane-1,6-diamine;2-methylpropanoic acid 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

decan-1-amine;2-hydroxypropanoic acid
CID 88700123
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
8-aminooctyl 2-methylpropanoate
CID 88886116
2-methylpropanoic acid
CID 173073412
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
3-acetyl-2-methyl-4-oxopentanoic acid;butane-1,4-diamine
CID 175431718
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-amino-2-ethylhexanoic acid;azane
CID 88821488

Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diamine;2-methylpropanoic acid?
The IUPAC name of hexane-1,6-diamine;2-methylpropanoic acid (CID 21426939) is hexane-1,6-diamine;2-methylpropanoic acid.
What is the SMILES notation for hexane-1,6-diamine;2-methylpropanoic acid?
The canonical SMILES for hexane-1,6-diamine;2-methylpropanoic acid is CC(C)C(=O)O.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;2-methylpropanoic acid?
The InChIKey is WDABOXXEBCHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C4H8O2/c7-5-3-1-2-4-6-8;1-3(2)4(5)6/h1-8H2;3H,1-2H3,(H,5,6).
What are the key properties of hexane-1,6-diamine;2-methylpropanoic acid?
hexane-1,6-diamine;2-methylpropanoic acid has a molecular weight of 204.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;2-methylpropanoic acid is sourced from PubChem (CID 21426939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).