pentadecan-1-amine;hydrobromide

C15H34BrN — CID 173087623

IUPACpentadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCN
InChIInChI=1S/C15H33N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;1H
InChIKeyGMPPXCJXWNFUFR-UHFFFAOYSA-N
MW308.35 g/mol
LogP5.61
Rot. Bonds13

About pentadecan-1-amine;hydrobromide

pentadecan-1-amine;hydrobromide (PubChem CID 173087623) has the molecular formula C15H34BrN and a molecular weight of 308.35 g/mol. Its IUPAC name is pentadecan-1-amine;hydrobromide.

Molecular Properties

Compound Namepentadecan-1-amine;hydrobromide
PubChem CID173087623
Molecular FormulaC15H34BrN
Molecular Weight308.35 g/mol
Exact Mass307.19
IUPAC Namepentadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCN
InChIInChI=1S/C15H33N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;1H
InChIKeyGMPPXCJXWNFUFR-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.35
LogP ≤ 55.61
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

tetracosan-1-amine;hydrobromide
CID 175600580
dotetracontan-1-amine
CID 14550497
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
nonan-1-amine;dihydrate
CID 174770026
copper;hexan-1-amine
CID 87269039
hexadecan-1-amine;hydroiodide
CID 173125534

Frequently Asked Questions

What is the IUPAC name of pentadecan-1-amine;hydrobromide?
The IUPAC name of pentadecan-1-amine;hydrobromide (CID 173087623) is pentadecan-1-amine;hydrobromide.
What is the SMILES notation for pentadecan-1-amine;hydrobromide?
The canonical SMILES for pentadecan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCN.
What is the InChIKey of pentadecan-1-amine;hydrobromide?
The InChIKey is GMPPXCJXWNFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;/h2-16H2,1H3;1H.
What are the key properties of pentadecan-1-amine;hydrobromide?
pentadecan-1-amine;hydrobromide has a molecular weight of 308.35 g/mol, XLogP of 5.61, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-1-amine;hydrobromide is sourced from PubChem (CID 173087623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).