N,N-di(decan-2-yl)decan-2-amine;hydrobromide

C30H64BrN — CID 173437126

IUPACN,N-di(decan-2-yl)decan-2-amine;hydrobromide
SMILESBr.CCCCCCCCC(C)N(C(C)CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H63N.BrH/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3;/h28-30H,7-27H2,1-6H3;1H
InChIKeyFURIAMXLGVGPSD-UHFFFAOYSA-N
MW518.75 g/mol
LogP11.28
Rot. Bonds24

About N,N-di(decan-2-yl)decan-2-amine;hydrobromide

N,N-di(decan-2-yl)decan-2-amine;hydrobromide (PubChem CID 173437126) has the molecular formula C30H64BrN and a molecular weight of 518.75 g/mol. Its IUPAC name is N,N-di(decan-2-yl)decan-2-amine;hydrobromide.

Molecular Properties

Compound NameN,N-di(decan-2-yl)decan-2-amine;hydrobromide
PubChem CID173437126
Molecular FormulaC30H64BrN
Molecular Weight518.75 g/mol
Exact Mass517.42
IUPAC NameN,N-di(decan-2-yl)decan-2-amine;hydrobromide
SMILESBr.CCCCCCCCC(C)N(C(C)CCCCCCCC)C(C)CCCCCCCC
InChIInChI=1S/C30H63N.BrH/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3;/h28-30H,7-27H2,1-6H3;1H
InChIKeyFURIAMXLGVGPSD-UHFFFAOYSA-N
XLogP11.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-di(decan-2-yl)decan-2-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

N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
2-methylheptadecane;hydrobromide
CID 174866228
N,N-dihydroxyoctadecan-2-amine
CID 19777704
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N-nonan-2-yl-N-propylnonan-2-amine
CID 134607063
2-methyloctacosane
CID 519147
8,9-dimethylhexacosane
CID 160651612
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of N,N-di(decan-2-yl)decan-2-amine;hydrobromide?
The IUPAC name of N,N-di(decan-2-yl)decan-2-amine;hydrobromide (CID 173437126) is N,N-di(decan-2-yl)decan-2-amine;hydrobromide.
What is the SMILES notation for N,N-di(decan-2-yl)decan-2-amine;hydrobromide?
The canonical SMILES for N,N-di(decan-2-yl)decan-2-amine;hydrobromide is Br.CCCCCCCCC(C)N(C(C)CCCCCCCC)C(C)CCCCCCCC.
What is the InChIKey of N,N-di(decan-2-yl)decan-2-amine;hydrobromide?
The InChIKey is FURIAMXLGVGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N.BrH/c1-7-10-13-16-19-22-25-28(4)31(29(5)26-23-20-17-14-11-8-2)30(6)27-24-21-18-15-12-9-3;/h28-30H,7-27H2,1-6H3;1H.
What are the key properties of N,N-di(decan-2-yl)decan-2-amine;hydrobromide?
N,N-di(decan-2-yl)decan-2-amine;hydrobromide has a molecular weight of 518.75 g/mol, XLogP of 11.28, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(decan-2-yl)decan-2-amine;hydrobromide is sourced from PubChem (CID 173437126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).