3-ethyl-4-methylicosan-3-amine

C23H49N — CID 88992847

IUPAC3-ethyl-4-methylicosan-3-amine
SMILESCCCCCCCCCCCCCCCCC(C)C(N)(CC)CC
InChIInChI=1S/C23H49N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4)23(24,6-2)7-3/h22H,5-21,24H2,1-4H3
InChIKeyQAMUMVYJOTVXQH-UHFFFAOYSA-N
MW339.65 g/mol
LogP8.01
Rot. Bonds18

About 3-ethyl-4-methylicosan-3-amine

3-ethyl-4-methylicosan-3-amine (PubChem CID 88992847) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is 3-ethyl-4-methylicosan-3-amine.

Molecular Properties

Compound Name3-ethyl-4-methylicosan-3-amine
PubChem CID88992847
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC Name3-ethyl-4-methylicosan-3-amine
SMILESCCCCCCCCCCCCCCCCC(C)C(N)(CC)CC
InChIInChI=1S/C23H49N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4)23(24,6-2)7-3/h22H,5-21,24H2,1-4H3
InChIKeyQAMUMVYJOTVXQH-UHFFFAOYSA-N
XLogP8.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 58.01
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

2,3-dimethylhexadecan-2-amine
CID 87479269
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
2-amino-3-methylheptadecan-2-ol
CID 88695872
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
2-chloro-2,3-dimethyltridecane
CID 87222996
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
2-chloro-2,3-dimethylnonane
CID 87897655
11,12-dimethylheptacosan-11-amine
CID 174255229
2,2,3-trimethylundecane
CID 21285055
4-methyldodecane-3,3-diol
CID 152575890

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylicosan-3-amine?
The IUPAC name of 3-ethyl-4-methylicosan-3-amine (CID 88992847) is 3-ethyl-4-methylicosan-3-amine.
What is the SMILES notation for 3-ethyl-4-methylicosan-3-amine?
The canonical SMILES for 3-ethyl-4-methylicosan-3-amine is CCCCCCCCCCCCCCCCC(C)C(N)(CC)CC.
What is the InChIKey of 3-ethyl-4-methylicosan-3-amine?
The InChIKey is QAMUMVYJOTVXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4)23(24,6-2)7-3/h22H,5-21,24H2,1-4H3.
What are the key properties of 3-ethyl-4-methylicosan-3-amine?
3-ethyl-4-methylicosan-3-amine has a molecular weight of 339.65 g/mol, XLogP of 8.01, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylicosan-3-amine is sourced from PubChem (CID 88992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).