2,9-dimethyldecane-3,8-diamine

C12H28N2 — CID 87559181

IUPAC2,9-dimethyldecane-3,8-diamine
SMILESCC(C)C(N)CCCCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyJAQTZULVKVYACR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.51
Rot. Bonds7

About 2,9-dimethyldecane-3,8-diamine

2,9-dimethyldecane-3,8-diamine (PubChem CID 87559181) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,9-dimethyldecane-3,8-diamine.

Molecular Properties

Compound Name2,9-dimethyldecane-3,8-diamine
PubChem CID87559181
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2,9-dimethyldecane-3,8-diamine
SMILESCC(C)C(N)CCCCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyJAQTZULVKVYACR-UHFFFAOYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.51
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 2,9-dimethyldecane-3,8-diamine?
The IUPAC name of 2,9-dimethyldecane-3,8-diamine (CID 87559181) is 2,9-dimethyldecane-3,8-diamine.
What is the SMILES notation for 2,9-dimethyldecane-3,8-diamine?
The canonical SMILES for 2,9-dimethyldecane-3,8-diamine is CC(C)C(N)CCCCC(N)C(C)C.
What is the InChIKey of 2,9-dimethyldecane-3,8-diamine?
The InChIKey is JAQTZULVKVYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 2,9-dimethyldecane-3,8-diamine?
2,9-dimethyldecane-3,8-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecane-3,8-diamine is sourced from PubChem (CID 87559181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).