3-ethyl-N,N-dimethylpentadec-1-en-3-amine

C19H39N — CID 174842889

IUPAC3-ethyl-N,N-dimethylpentadec-1-en-3-amine
SMILESC=CC(CC)(CCCCCCCCCCCC)N(C)C
InChIInChI=1S/C19H39N/c1-6-9-10-11-12-13-14-15-16-17-18-19(7-2,8-3)20(4)5/h7H,2,6,8-18H2,1,3-5H3
InChIKeyZJFIXIZABPHOHB-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.19
Rot. Bonds14

About 3-ethyl-N,N-dimethylpentadec-1-en-3-amine

3-ethyl-N,N-dimethylpentadec-1-en-3-amine (PubChem CID 174842889) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethylpentadec-1-en-3-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dimethylpentadec-1-en-3-amine
PubChem CID174842889
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3-ethyl-N,N-dimethylpentadec-1-en-3-amine
SMILESC=CC(CC)(CCCCCCCCCCCC)N(C)C
InChIInChI=1S/C19H39N/c1-6-9-10-11-12-13-14-15-16-17-18-19(7-2,8-3)20(4)5/h7H,2,6,8-18H2,1,3-5H3
InChIKeyZJFIXIZABPHOHB-UHFFFAOYSA-N
XLogP6.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-11-pentylhenicosan-11-amine
CID 175528933
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
calcium;hydride;octane
CID 173403164
ethene;undecane
CID 161157037
N,N-dimethyl-6-pentylundecan-6-amine
CID 170848103
N,2-dimethyl-N-prop-2-enyltridecan-2-amine
CID 174634472
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
1,1-dichloro-N,N-dimethyloctan-1-amine
CID 175456302
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
9-ethenyl-9-phosphorosoheptadecane
CID 88748001
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethylpentadec-1-en-3-amine?
The IUPAC name of 3-ethyl-N,N-dimethylpentadec-1-en-3-amine (CID 174842889) is 3-ethyl-N,N-dimethylpentadec-1-en-3-amine.
What is the SMILES notation for 3-ethyl-N,N-dimethylpentadec-1-en-3-amine?
The canonical SMILES for 3-ethyl-N,N-dimethylpentadec-1-en-3-amine is C=CC(CC)(CCCCCCCCCCCC)N(C)C.
What is the InChIKey of 3-ethyl-N,N-dimethylpentadec-1-en-3-amine?
The InChIKey is ZJFIXIZABPHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-6-9-10-11-12-13-14-15-16-17-18-19(7-2,8-3)20(4)5/h7H,2,6,8-18H2,1,3-5H3.
What are the key properties of 3-ethyl-N,N-dimethylpentadec-1-en-3-amine?
3-ethyl-N,N-dimethylpentadec-1-en-3-amine has a molecular weight of 281.53 g/mol, XLogP of 6.19, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethylpentadec-1-en-3-amine is sourced from PubChem (CID 174842889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).