N-prop-2-enyloctadecan-1-amine

C21H43N — CID 22467884

IUPACN-prop-2-enyloctadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,22H,2-3,5-21H2,1H3
InChIKeyNZDBTPVECFIJKC-UHFFFAOYSA-N
MW309.58 g/mol
LogP7.02
Rot. Bonds19

About N-prop-2-enyloctadecan-1-amine

N-prop-2-enyloctadecan-1-amine (PubChem CID 22467884) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N-prop-2-enyloctadecan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyloctadecan-1-amine
PubChem CID22467884
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN-prop-2-enyloctadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,22H,2-3,5-21H2,1H3
InChIKeyNZDBTPVECFIJKC-UHFFFAOYSA-N
XLogP7.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.02
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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyloctadecan-1-amine?
The IUPAC name of N-prop-2-enyloctadecan-1-amine (CID 22467884) is N-prop-2-enyloctadecan-1-amine.
What is the SMILES notation for N-prop-2-enyloctadecan-1-amine?
The canonical SMILES for N-prop-2-enyloctadecan-1-amine is C=CCNCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enyloctadecan-1-amine?
The InChIKey is NZDBTPVECFIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,22H,2-3,5-21H2,1H3.
What are the key properties of N-prop-2-enyloctadecan-1-amine?
N-prop-2-enyloctadecan-1-amine has a molecular weight of 309.58 g/mol, XLogP of 7.02, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloctadecan-1-amine is sourced from PubChem (CID 22467884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).