18,18-dimethylnonadecan-1-amine

C21H45N — CID 53249240

IUPAC18,18-dimethylnonadecan-1-amine
SMILESCC(C)(C)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C21H45N/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h4-20,22H2,1-3H3
InChIKeyRRPZHYWZRCTYBG-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.23
Rot. Bonds16

About 18,18-dimethylnonadecan-1-amine

18,18-dimethylnonadecan-1-amine (PubChem CID 53249240) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is 18,18-dimethylnonadecan-1-amine.

Molecular Properties

Compound Name18,18-dimethylnonadecan-1-amine
PubChem CID53249240
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC Name18,18-dimethylnonadecan-1-amine
SMILESCC(C)(C)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C21H45N/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h4-20,22H2,1-3H3
InChIKeyRRPZHYWZRCTYBG-UHFFFAOYSA-N
XLogP7.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.23
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

12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
CID 160729242
CID 160729242
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
4,4-dimethylpentan-1-amine
CID 14454757
hexane-1,5,5-triamine
CID 23298659
11-methyldodecane-1,11-diamine;propane
CID 145179809
hexane-1,6-diamine;methanamine
CID 174275715
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
13-iodo-7,7-dimethyltridecan-1-amine
CID 89328032
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
18,18-diethylicosan-1-amine
CID 87504312

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethylnonadecan-1-amine?
The IUPAC name of 18,18-dimethylnonadecan-1-amine (CID 53249240) is 18,18-dimethylnonadecan-1-amine.
What is the SMILES notation for 18,18-dimethylnonadecan-1-amine?
The canonical SMILES for 18,18-dimethylnonadecan-1-amine is CC(C)(C)CCCCCCCCCCCCCCCCCN.
What is the InChIKey of 18,18-dimethylnonadecan-1-amine?
The InChIKey is RRPZHYWZRCTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22/h4-20,22H2,1-3H3.
What are the key properties of 18,18-dimethylnonadecan-1-amine?
18,18-dimethylnonadecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 7.23, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethylnonadecan-1-amine is sourced from PubChem (CID 53249240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).