6-methylnonadecan-2-amine

C20H43N — CID 54497673

IUPAC6-methylnonadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)CCCC(C)N
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21/h19-20H,4-18,21H2,1-3H3
InChIKeyYAGNMMSITDZWCZ-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.84
Rot. Bonds16

About 6-methylnonadecan-2-amine

6-methylnonadecan-2-amine (PubChem CID 54497673) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 6-methylnonadecan-2-amine.

Molecular Properties

Compound Name6-methylnonadecan-2-amine
PubChem CID54497673
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name6-methylnonadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)CCCC(C)N
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21/h19-20H,4-18,21H2,1-3H3
InChIKeyYAGNMMSITDZWCZ-UHFFFAOYSA-N
XLogP6.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.84
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

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
7,11-dimethylpentatriacontane
CID 6430674
11,15-dimethylheptacosane
CID 6430046
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
10,14,18-trimethyldotriacontane
CID 86017574

Frequently Asked Questions

What is the IUPAC name of 6-methylnonadecan-2-amine?
The IUPAC name of 6-methylnonadecan-2-amine (CID 54497673) is 6-methylnonadecan-2-amine.
What is the SMILES notation for 6-methylnonadecan-2-amine?
The canonical SMILES for 6-methylnonadecan-2-amine is CCCCCCCCCCCCCC(C)CCCC(C)N.
What is the InChIKey of 6-methylnonadecan-2-amine?
The InChIKey is YAGNMMSITDZWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21/h19-20H,4-18,21H2,1-3H3.
What are the key properties of 6-methylnonadecan-2-amine?
6-methylnonadecan-2-amine has a molecular weight of 297.57 g/mol, XLogP of 6.84, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnonadecan-2-amine is sourced from PubChem (CID 54497673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).