3,4-diethylundecan-3-amine;hydrobromide

C15H34BrN — CID 173157515

IUPAC3,4-diethylundecan-3-amine;hydrobromide
SMILESBr.CCCCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C15H33N.BrH/c1-5-9-10-11-12-13-14(6-2)15(16,7-3)8-4;/h14H,5-13,16H2,1-4H3;1H
InChIKeyUFXRXWOFHQUSMJ-UHFFFAOYSA-N
MW308.35 g/mol
LogP5.47
Rot. Bonds10

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

3,4-diethylundecan-3-amine;hydrobromide (PubChem CID 173157515) has the molecular formula C15H34BrN and a molecular weight of 308.35 g/mol. Its IUPAC name is 3,4-diethylundecan-3-amine;hydrobromide.

Molecular Properties

Compound Name3,4-diethylundecan-3-amine;hydrobromide
PubChem CID173157515
Molecular FormulaC15H34BrN
Molecular Weight308.35 g/mol
Exact Mass307.19
IUPAC Name3,4-diethylundecan-3-amine;hydrobromide
SMILESBr.CCCCCCCC(CC)C(N)(CC)CC
InChIInChI=1S/C15H33N.BrH/c1-5-9-10-11-12-13-14(6-2)15(16,7-3)8-4;/h14H,5-13,16H2,1-4H3;1H
InChIKeyUFXRXWOFHQUSMJ-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
4-ethylnonane-3,3-diamine
CID 168918748
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
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine
CID 87777524

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylundecan-3-amine;hydrobromide?
The IUPAC name of 3,4-diethylundecan-3-amine;hydrobromide (CID 173157515) is 3,4-diethylundecan-3-amine;hydrobromide.
What is the SMILES notation for 3,4-diethylundecan-3-amine;hydrobromide?
The canonical SMILES for 3,4-diethylundecan-3-amine;hydrobromide is Br.CCCCCCCC(CC)C(N)(CC)CC.
What is the InChIKey of 3,4-diethylundecan-3-amine;hydrobromide?
The InChIKey is UFXRXWOFHQUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.BrH/c1-5-9-10-11-12-13-14(6-2)15(16,7-3)8-4;/h14H,5-13,16H2,1-4H3;1H.
What are the key properties of 3,4-diethylundecan-3-amine;hydrobromide?
3,4-diethylundecan-3-amine;hydrobromide has a molecular weight of 308.35 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylundecan-3-amine;hydrobromide is sourced from PubChem (CID 173157515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).