3,4-diethylnonan-3-amine;hydrobromide

C13H30BrN — CID 173157604

IUPAC3,4-diethylnonan-3-amine;hydrobromide
SMILESBr.CCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C13H29N.BrH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H
InChIKeyRJSQZLCJYVVXJB-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.69
Rot. Bonds8

About 3,4-diethylnonan-3-amine;hydrobromide

3,4-diethylnonan-3-amine;hydrobromide (PubChem CID 173157604) has the molecular formula C13H30BrN and a molecular weight of 280.29 g/mol. Its IUPAC name is 3,4-diethylnonan-3-amine;hydrobromide.

Molecular Properties

Compound Name3,4-diethylnonan-3-amine;hydrobromide
PubChem CID173157604
Molecular FormulaC13H30BrN
Molecular Weight280.29 g/mol
Exact Mass279.16
IUPAC Name3,4-diethylnonan-3-amine;hydrobromide
SMILESBr.CCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C13H29N.BrH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H
InChIKeyRJSQZLCJYVVXJB-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-diethylnonan-3-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
4-ethylnonane-3,3-diamine
CID 168918748
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
3-ethyl-2-methylnonan-2-amine
CID 175488413
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
8,9-diheptylhenicosan-8-amine
CID 87777524
3-ethyl-4-methylicosan-3-amine
CID 88992847

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylnonan-3-amine;hydrobromide?
The IUPAC name of 3,4-diethylnonan-3-amine;hydrobromide (CID 173157604) is 3,4-diethylnonan-3-amine;hydrobromide.
What is the SMILES notation for 3,4-diethylnonan-3-amine;hydrobromide?
The canonical SMILES for 3,4-diethylnonan-3-amine;hydrobromide is Br.CCCCCC(CC)C(N)(CC)CC.
What is the InChIKey of 3,4-diethylnonan-3-amine;hydrobromide?
The InChIKey is RJSQZLCJYVVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.BrH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H.
What are the key properties of 3,4-diethylnonan-3-amine;hydrobromide?
3,4-diethylnonan-3-amine;hydrobromide has a molecular weight of 280.29 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylnonan-3-amine;hydrobromide is sourced from PubChem (CID 173157604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).