5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine

C23H47N — CID 157119798

IUPAC5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine
SMILESC=CC(CCCC)(CCCC)C(CCCCCCCC)N(C)CC
InChIInChI=1S/C23H47N/c1-7-12-15-16-17-18-19-22(24(6)11-5)23(10-4,20-13-8-2)21-14-9-3/h10,22H,4,7-9,11-21H2,1-3,5-6H3
InChIKeyAHVIQJJIOJOVPI-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.61
Rot. Bonds17

About 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine

5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine (PubChem CID 157119798) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine.

Molecular Properties

Compound Name5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine
PubChem CID157119798
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine
SMILESC=CC(CCCC)(CCCC)C(CCCCCCCC)N(C)CC
InChIInChI=1S/C23H47N/c1-7-12-15-16-17-18-19-22(24(6)11-5)23(10-4,20-13-8-2)21-14-9-3/h10,22H,4,7-9,11-21H2,1-3,5-6H3
InChIKeyAHVIQJJIOJOVPI-UHFFFAOYSA-N
XLogP7.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.61
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

5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine
CID 161301643
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
1-chloro-N-ethyl-N-methylhexadecan-1-amine
CID 174395763
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
3-chloro-3,4-dimethyldodec-1-ene
CID 150187034
N,N,2-trimethyl-2-silylnonadecan-3-amine
CID 173003258
N,N,2-trimethyl-2-silylnonan-3-amine
CID 173042383
5-butyl-6-prop-2-enylnonadecan-5-amine
CID 22597091
5-butyl-6-prop-2-enylhenicosan-5-amine;5-butyl-6-prop-2-enylicosan-5-amine
CID 87990081
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine?
The IUPAC name of 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine (CID 157119798) is 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine.
What is the SMILES notation for 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine?
The canonical SMILES for 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine is C=CC(CCCC)(CCCC)C(CCCCCCCC)N(C)CC.
What is the InChIKey of 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine?
The InChIKey is AHVIQJJIOJOVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-7-12-15-16-17-18-19-22(24(6)11-5)23(10-4,20-13-8-2)21-14-9-3/h10,22H,4,7-9,11-21H2,1-3,5-6H3.
What are the key properties of 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine?
5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine has a molecular weight of 337.64 g/mol, XLogP of 7.61, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethenyl-N-ethyl-N-methyltetradecan-6-amine is sourced from PubChem (CID 157119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).