3,4-dimethyldecane-1,10-diamine

C12H28N2 — CID 118234620

IUPAC3,4-dimethyldecane-1,10-diamine
SMILESCC(CCN)C(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-11(12(2)8-10-14)7-5-3-4-6-9-13/h11-12H,3-10,13-14H2,1-2H3
InChIKeyQTBUQAQJDZAPLL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.52
Rot. Bonds9

About 3,4-dimethyldecane-1,10-diamine

3,4-dimethyldecane-1,10-diamine (PubChem CID 118234620) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,4-dimethyldecane-1,10-diamine.

Molecular Properties

Compound Name3,4-dimethyldecane-1,10-diamine
PubChem CID118234620
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3,4-dimethyldecane-1,10-diamine
SMILESCC(CCN)C(C)CCCCCCN
InChIInChI=1S/C12H28N2/c1-11(12(2)8-10-14)7-5-3-4-6-9-13/h11-12H,3-10,13-14H2,1-2H3
InChIKeyQTBUQAQJDZAPLL-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.52
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

2-methyldecane-1,1,10-triamine
CID 175230718
36-methylheptatriacontan-1-amine
CID 134324173
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
pentacosane-1,13,25-triamine
CID 174653759
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
undecane-1,10-diamine
CID 140782210
octane-1,4,8-triamine
CID 18544198
6-fluoroheptan-1-amine
CID 83855129
4,5-dimethylhexan-1-amine
CID 55283993
octadecane-1,5-diamine
CID 154229011

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyldecane-1,10-diamine?
The IUPAC name of 3,4-dimethyldecane-1,10-diamine (CID 118234620) is 3,4-dimethyldecane-1,10-diamine.
What is the SMILES notation for 3,4-dimethyldecane-1,10-diamine?
The canonical SMILES for 3,4-dimethyldecane-1,10-diamine is CC(CCN)C(C)CCCCCCN.
What is the InChIKey of 3,4-dimethyldecane-1,10-diamine?
The InChIKey is QTBUQAQJDZAPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(12(2)8-10-14)7-5-3-4-6-9-13/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 3,4-dimethyldecane-1,10-diamine?
3,4-dimethyldecane-1,10-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyldecane-1,10-diamine is sourced from PubChem (CID 118234620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).