18,18-diethylicosan-1-amine

C24H51N — CID 87504312

IUPAC18,18-diethylicosan-1-amine
SMILESCCC(CC)(CC)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H51N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-23,25H2,1-3H3
InChIKeyBJDXPJYYDSBLGV-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.40
Rot. Bonds20

About 18,18-diethylicosan-1-amine

18,18-diethylicosan-1-amine (PubChem CID 87504312) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 18,18-diethylicosan-1-amine.

Molecular Properties

Compound Name18,18-diethylicosan-1-amine
PubChem CID87504312
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name18,18-diethylicosan-1-amine
SMILESCCC(CC)(CC)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C24H51N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-23,25H2,1-3H3
InChIKeyBJDXPJYYDSBLGV-UHFFFAOYSA-N
XLogP8.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.40
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

3,3-diethylhexane-1,6-diamine
CID 89464851
2,2-bis(aminomethyl)octane-1,8-diamine
CID 174940761
4,4-dipentylnonan-1-amine
CID 88632324
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
1-chloro-8,8-diethyldecane
CID 141051096
1-bromo-16,16-diethyloctadecane
CID 141121710
2-butyl-2-ethyldodecan-1-amine
CID 55195465
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
(Z)-18,18-dibutyldocos-9-en-1-amine
CID 169038477
9,9,10-triethyldodecane-1,10-diamine
CID 22292334
11-methyldodecane-1,11-diamine;propane
CID 145179809

Frequently Asked Questions

What is the IUPAC name of 18,18-diethylicosan-1-amine?
The IUPAC name of 18,18-diethylicosan-1-amine (CID 87504312) is 18,18-diethylicosan-1-amine.
What is the SMILES notation for 18,18-diethylicosan-1-amine?
The canonical SMILES for 18,18-diethylicosan-1-amine is CCC(CC)(CC)CCCCCCCCCCCCCCCCCN.
What is the InChIKey of 18,18-diethylicosan-1-amine?
The InChIKey is BJDXPJYYDSBLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h4-23,25H2,1-3H3.
What are the key properties of 18,18-diethylicosan-1-amine?
18,18-diethylicosan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.40, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-diethylicosan-1-amine is sourced from PubChem (CID 87504312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).