8,9-dimethyldecane-1,9-diamine

C12H28N2 — CID 23499647

IUPAC8,9-dimethyldecane-1,9-diamine
SMILESCC(CCCCCCCN)C(C)(C)N
InChIInChI=1S/C12H28N2/c1-11(12(2,3)14)9-7-5-4-6-8-10-13/h11H,4-10,13-14H2,1-3H3
InChIKeyJWPJBPLKZBJWIL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.66
Rot. Bonds8

About 8,9-dimethyldecane-1,9-diamine

8,9-dimethyldecane-1,9-diamine (PubChem CID 23499647) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 8,9-dimethyldecane-1,9-diamine.

Molecular Properties

Compound Name8,9-dimethyldecane-1,9-diamine
PubChem CID23499647
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name8,9-dimethyldecane-1,9-diamine
SMILESCC(CCCCCCCN)C(C)(C)N
InChIInChI=1S/C12H28N2/c1-11(12(2,3)14)9-7-5-4-6-8-10-13/h11H,4-10,13-14H2,1-3H3
InChIKeyJWPJBPLKZBJWIL-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyldecane-1,9-diamine?
The IUPAC name of 8,9-dimethyldecane-1,9-diamine (CID 23499647) is 8,9-dimethyldecane-1,9-diamine.
What is the SMILES notation for 8,9-dimethyldecane-1,9-diamine?
The canonical SMILES for 8,9-dimethyldecane-1,9-diamine is CC(CCCCCCCN)C(C)(C)N.
What is the InChIKey of 8,9-dimethyldecane-1,9-diamine?
The InChIKey is JWPJBPLKZBJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(12(2,3)14)9-7-5-4-6-8-10-13/h11H,4-10,13-14H2,1-3H3.
What are the key properties of 8,9-dimethyldecane-1,9-diamine?
8,9-dimethyldecane-1,9-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyldecane-1,9-diamine is sourced from PubChem (CID 23499647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).