N-prop-2-enyltetradecan-1-amine

C17H35N — CID 22467888

IUPACN-prop-2-enyltetradecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCC
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyUPWBYIXAFQMXQJ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.46
Rot. Bonds15

About N-prop-2-enyltetradecan-1-amine

N-prop-2-enyltetradecan-1-amine (PubChem CID 22467888) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-prop-2-enyltetradecan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyltetradecan-1-amine
PubChem CID22467888
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-prop-2-enyltetradecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCC
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyUPWBYIXAFQMXQJ-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.46
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-enyltetradecan-1-amine?
The IUPAC name of N-prop-2-enyltetradecan-1-amine (CID 22467888) is N-prop-2-enyltetradecan-1-amine.
What is the SMILES notation for N-prop-2-enyltetradecan-1-amine?
The canonical SMILES for N-prop-2-enyltetradecan-1-amine is C=CCNCCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enyltetradecan-1-amine?
The InChIKey is UPWBYIXAFQMXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-16-4-2/h4,18H,2-3,5-17H2,1H3.
What are the key properties of N-prop-2-enyltetradecan-1-amine?
N-prop-2-enyltetradecan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.46, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyltetradecan-1-amine is sourced from PubChem (CID 22467888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).