2-methylheptadecan-2-amine;dihydrobromide

C18H41Br2N — CID 175361639

IUPAC2-methylheptadecan-2-amine;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C18H39N.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19;;/h4-17,19H2,1-3H3;2*1H
InChIKeyYOEMWSASNWZCSF-UHFFFAOYSA-N
MW431.34 g/mol
LogP7.36
Rot. Bonds14

About 2-methylheptadecan-2-amine;dihydrobromide

2-methylheptadecan-2-amine;dihydrobromide (PubChem CID 175361639) has the molecular formula C18H41Br2N and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-methylheptadecan-2-amine;dihydrobromide.

Molecular Properties

Compound Name2-methylheptadecan-2-amine;dihydrobromide
PubChem CID175361639
Molecular FormulaC18H41Br2N
Molecular Weight431.34 g/mol
Exact Mass429.16
IUPAC Name2-methylheptadecan-2-amine;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C18H39N.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19;;/h4-17,19H2,1-3H3;2*1H
InChIKeyYOEMWSASNWZCSF-UHFFFAOYSA-N
XLogP7.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylheptadecan-2-amine;dihydrobromide 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

2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2,4,4-trimethyldodecan-2-amine
CID 88894727
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
2,2-dimethylundecane;hydrobromide
CID 172814192
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
3-methyloctadecan-3-amine
CID 54058172
10-tert-butylnonadecan-10-amine
CID 20837586

Frequently Asked Questions

What is the IUPAC name of 2-methylheptadecan-2-amine;dihydrobromide?
The IUPAC name of 2-methylheptadecan-2-amine;dihydrobromide (CID 175361639) is 2-methylheptadecan-2-amine;dihydrobromide.
What is the SMILES notation for 2-methylheptadecan-2-amine;dihydrobromide?
The canonical SMILES for 2-methylheptadecan-2-amine;dihydrobromide is Br.Br.CCCCCCCCCCCCCCCC(C)(C)N.
What is the InChIKey of 2-methylheptadecan-2-amine;dihydrobromide?
The InChIKey is YOEMWSASNWZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.2BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19;;/h4-17,19H2,1-3H3;2*1H.
What are the key properties of 2-methylheptadecan-2-amine;dihydrobromide?
2-methylheptadecan-2-amine;dihydrobromide has a molecular weight of 431.34 g/mol, XLogP of 7.36, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadecan-2-amine;dihydrobromide is sourced from PubChem (CID 175361639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).