2-methyldecane-2,3-diamine

C11H26N2 — CID 87934186

IUPAC2-methyldecane-2,3-diamine
SMILESCCCCCCCC(N)C(C)(C)N
InChIInChI=1S/C11H26N2/c1-4-5-6-7-8-9-10(12)11(2,3)13/h10H,4-9,12-13H2,1-3H3
InChIKeyHECRQBUJUNYANN-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.41
Rot. Bonds7

About 2-methyldecane-2,3-diamine

2-methyldecane-2,3-diamine (PubChem CID 87934186) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methyldecane-2,3-diamine.

Molecular Properties

Compound Name2-methyldecane-2,3-diamine
PubChem CID87934186
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-methyldecane-2,3-diamine
SMILESCCCCCCCC(N)C(C)(C)N
InChIInChI=1S/C11H26N2/c1-4-5-6-7-8-9-10(12)11(2,3)13/h10H,4-9,12-13H2,1-3H3
InChIKeyHECRQBUJUNYANN-UHFFFAOYSA-N
XLogP2.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
3-hexyl-2-methylundecan-2-amine
CID 89005835
15-tetradecyltriacontane-15,16-diamine
CID 129286411
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
2,3-dimethylhexadecan-2-amine
CID 87479269
14-aminohexacosane-13,13-diol
CID 19607501
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-ethyl-2-methylnonan-2-amine
CID 175488413
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049

Frequently Asked Questions

What is the IUPAC name of 2-methyldecane-2,3-diamine?
The IUPAC name of 2-methyldecane-2,3-diamine (CID 87934186) is 2-methyldecane-2,3-diamine.
What is the SMILES notation for 2-methyldecane-2,3-diamine?
The canonical SMILES for 2-methyldecane-2,3-diamine is CCCCCCCC(N)C(C)(C)N.
What is the InChIKey of 2-methyldecane-2,3-diamine?
The InChIKey is HECRQBUJUNYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-5-6-7-8-9-10(12)11(2,3)13/h10H,4-9,12-13H2,1-3H3.
What are the key properties of 2-methyldecane-2,3-diamine?
2-methyldecane-2,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecane-2,3-diamine is sourced from PubChem (CID 87934186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).