5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine

C24H49N — CID 161301643

IUPAC5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine
SMILESC=CC(CCCC)(CCCC)C(CCCCCCCC)N(CC)CC
InChIInChI=1S/C24H49N/c1-7-13-16-17-18-19-20-23(25(11-5)12-6)24(10-4,21-14-8-2)22-15-9-3/h10,23H,4,7-9,11-22H2,1-3,5-6H3
InChIKeyVHRVLMQHZHPJDU-UHFFFAOYSA-N
MW351.66 g/mol
LogP8.00
Rot. Bonds18

About 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine

5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine (PubChem CID 161301643) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine.

Molecular Properties

Compound Name5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine
PubChem CID161301643
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine
SMILESC=CC(CCCC)(CCCC)C(CCCCCCCC)N(CC)CC
InChIInChI=1S/C24H49N/c1-7-13-16-17-18-19-20-23(25(11-5)12-6)24(10-4,21-14-8-2)22-15-9-3/h10,23H,4,7-9,11-22H2,1-3,5-6H3
InChIKeyVHRVLMQHZHPJDU-UHFFFAOYSA-N
XLogP8.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.00
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-ethyl-N-methyltetradecan-6-amine
CID 157119798
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
3-chloro-3,4-dimethyldodec-1-ene
CID 150187034
N,N-diethyltridecan-4-amine
CID 159822270
5-butyl-6-prop-2-enylhenicosan-5-amine;5-butyl-6-prop-2-enylicosan-5-amine
CID 87990081
5-butyl-6-prop-2-enylnonadecan-5-amine
CID 22597091
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
3-ethyl-N,N-dimethylpentadec-1-en-3-amine
CID 174842889
3,4-dichloro-3-ethenyldodec-1-ene
CID 150880814

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine?
The IUPAC name of 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine (CID 161301643) is 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine.
What is the SMILES notation for 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine?
The canonical SMILES for 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine is C=CC(CCCC)(CCCC)C(CCCCCCCC)N(CC)CC.
What is the InChIKey of 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine?
The InChIKey is VHRVLMQHZHPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-7-13-16-17-18-19-20-23(25(11-5)12-6)24(10-4,21-14-8-2)22-15-9-3/h10,23H,4,7-9,11-22H2,1-3,5-6H3.
What are the key properties of 5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine?
5-butyl-5-ethenyl-N,N-diethyltetradecan-6-amine has a molecular weight of 351.66 g/mol, XLogP of 8.00, 18 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,N-diethyltetradecan-6-amine is sourced from PubChem (CID 161301643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).