9,10-dimethylundecane-1,10-diamine

C13H30N2 — CID 23499642

IUPAC9,10-dimethylundecane-1,10-diamine
SMILESCC(CCCCCCCCN)C(C)(C)N
InChIInChI=1S/C13H30N2/c1-12(13(2,3)15)10-8-6-4-5-7-9-11-14/h12H,4-11,14-15H2,1-3H3
InChIKeyYJOMXCREXNKQPS-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.05
Rot. Bonds9

About 9,10-dimethylundecane-1,10-diamine

9,10-dimethylundecane-1,10-diamine (PubChem CID 23499642) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 9,10-dimethylundecane-1,10-diamine.

Molecular Properties

Compound Name9,10-dimethylundecane-1,10-diamine
PubChem CID23499642
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name9,10-dimethylundecane-1,10-diamine
SMILESCC(CCCCCCCCN)C(C)(C)N
InChIInChI=1S/C13H30N2/c1-12(13(2,3)15)10-8-6-4-5-7-9-11-14/h12H,4-11,14-15H2,1-3H3
InChIKeyYJOMXCREXNKQPS-UHFFFAOYSA-N
XLogP3.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.05
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 9,10-dimethylundecane-1,10-diamine?
The IUPAC name of 9,10-dimethylundecane-1,10-diamine (CID 23499642) is 9,10-dimethylundecane-1,10-diamine.
What is the SMILES notation for 9,10-dimethylundecane-1,10-diamine?
The canonical SMILES for 9,10-dimethylundecane-1,10-diamine is CC(CCCCCCCCN)C(C)(C)N.
What is the InChIKey of 9,10-dimethylundecane-1,10-diamine?
The InChIKey is YJOMXCREXNKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(13(2,3)15)10-8-6-4-5-7-9-11-14/h12H,4-11,14-15H2,1-3H3.
What are the key properties of 9,10-dimethylundecane-1,10-diamine?
9,10-dimethylundecane-1,10-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylundecane-1,10-diamine is sourced from PubChem (CID 23499642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).