5,9-dimethyloctadecan-1-amine

C20H43N — CID 174923758

IUPAC5,9-dimethyloctadecan-1-amine
SMILESCCCCCCCCCC(C)CCCC(C)CCCCN
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-14-19(2)16-13-17-20(3)15-11-12-18-21/h19-20H,4-18,21H2,1-3H3
InChIKeySGKWTCDIZDTKDT-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.70
Rot. Bonds16

About 5,9-dimethyloctadecan-1-amine

5,9-dimethyloctadecan-1-amine (PubChem CID 174923758) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 5,9-dimethyloctadecan-1-amine.

Molecular Properties

Compound Name5,9-dimethyloctadecan-1-amine
PubChem CID174923758
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name5,9-dimethyloctadecan-1-amine
SMILESCCCCCCCCCC(C)CCCC(C)CCCCN
InChIInChI=1S/C20H43N/c1-4-5-6-7-8-9-10-14-19(2)16-13-17-20(3)15-11-12-18-21/h19-20H,4-18,21H2,1-3H3
InChIKeySGKWTCDIZDTKDT-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
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-methylpentadecan-1-amine
CID 57147657
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyloctadecan-1-amine?
The IUPAC name of 5,9-dimethyloctadecan-1-amine (CID 174923758) is 5,9-dimethyloctadecan-1-amine.
What is the SMILES notation for 5,9-dimethyloctadecan-1-amine?
The canonical SMILES for 5,9-dimethyloctadecan-1-amine is CCCCCCCCCC(C)CCCC(C)CCCCN.
What is the InChIKey of 5,9-dimethyloctadecan-1-amine?
The InChIKey is SGKWTCDIZDTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-14-19(2)16-13-17-20(3)15-11-12-18-21/h19-20H,4-18,21H2,1-3H3.
What are the key properties of 5,9-dimethyloctadecan-1-amine?
5,9-dimethyloctadecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.70, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyloctadecan-1-amine is sourced from PubChem (CID 174923758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).