5-butyl-6-prop-2-enylnonadecan-5-amine

C26H53N — CID 22597091

IUPAC5-butyl-6-prop-2-enylnonadecan-5-amine
SMILESC=CCC(CCCCCCCCCCCCC)C(N)(CCCC)CCCC
InChIInChI=1S/C26H53N/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h8,25H,4-7,9-24,27H2,1-3H3
InChIKeyZGQPLTZVULIGOZ-UHFFFAOYSA-N
MW379.72 g/mol
LogP8.96
Rot. Bonds21

About 5-butyl-6-prop-2-enylnonadecan-5-amine

5-butyl-6-prop-2-enylnonadecan-5-amine (PubChem CID 22597091) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is 5-butyl-6-prop-2-enylnonadecan-5-amine.

Molecular Properties

Compound Name5-butyl-6-prop-2-enylnonadecan-5-amine
PubChem CID22597091
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name5-butyl-6-prop-2-enylnonadecan-5-amine
SMILESC=CCC(CCCCCCCCCCCCC)C(N)(CCCC)CCCC
InChIInChI=1S/C26H53N/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h8,25H,4-7,9-24,27H2,1-3H3
InChIKeyZGQPLTZVULIGOZ-UHFFFAOYSA-N
XLogP8.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.96
H-Bond Donors ≤ 51
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-6-prop-2-enylhenicosan-5-amine;5-butyl-6-prop-2-enylicosan-5-amine
CID 87990081
2-methyl-3-prop-2-enylheptadecan-2-amine;hydrochloride
CID 173035002
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5-butyl-6-propylheptadecan-5-amine
CID 22597070
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
azane;5-butyl-5-chloro-6-prop-2-enylhexadecane
CID 88835528
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-prop-2-enylnonadecan-5-amine?
The IUPAC name of 5-butyl-6-prop-2-enylnonadecan-5-amine (CID 22597091) is 5-butyl-6-prop-2-enylnonadecan-5-amine.
What is the SMILES notation for 5-butyl-6-prop-2-enylnonadecan-5-amine?
The canonical SMILES for 5-butyl-6-prop-2-enylnonadecan-5-amine is C=CCC(CCCCCCCCCCCCC)C(N)(CCCC)CCCC.
What is the InChIKey of 5-butyl-6-prop-2-enylnonadecan-5-amine?
The InChIKey is ZGQPLTZVULIGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h8,25H,4-7,9-24,27H2,1-3H3.
What are the key properties of 5-butyl-6-prop-2-enylnonadecan-5-amine?
5-butyl-6-prop-2-enylnonadecan-5-amine has a molecular weight of 379.72 g/mol, XLogP of 8.96, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-prop-2-enylnonadecan-5-amine is sourced from PubChem (CID 22597091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).