N-prop-2-enyltridecan-1-amine

C16H33N — CID 22467882

IUPACN-prop-2-enyltridecan-1-amine
SMILESC=CCNCCCCCCCCCCCCC
InChIInChI=1S/C16H33N/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyQACGUVWJBRPJHH-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.07
Rot. Bonds14

About N-prop-2-enyltridecan-1-amine

N-prop-2-enyltridecan-1-amine (PubChem CID 22467882) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-prop-2-enyltridecan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyltridecan-1-amine
PubChem CID22467882
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-prop-2-enyltridecan-1-amine
SMILESC=CCNCCCCCCCCCCCCC
InChIInChI=1S/C16H33N/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyQACGUVWJBRPJHH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.07
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

phosphoric acid;N-prop-2-enyldodecan-1-amine
CID 174431091
N,N'-bis(prop-2-enyl)decane-1,10-diamine
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N-pent-4-enyloctan-1-amine
CID 79006791
1-octyl-2-prop-2-enylhydrazine
CID 175337885
2-(decylamino)acetaldehyde
CID 87184304
2-(hexylamino)ethanethial
CID 87313709
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyltridecan-1-amine?
The IUPAC name of N-prop-2-enyltridecan-1-amine (CID 22467882) is N-prop-2-enyltridecan-1-amine.
What is the SMILES notation for N-prop-2-enyltridecan-1-amine?
The canonical SMILES for N-prop-2-enyltridecan-1-amine is C=CCNCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enyltridecan-1-amine?
The InChIKey is QACGUVWJBRPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-6-7-8-9-10-11-12-13-14-16-17-15-4-2/h4,17H,2-3,5-16H2,1H3.
What are the key properties of N-prop-2-enyltridecan-1-amine?
N-prop-2-enyltridecan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.07, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyltridecan-1-amine is sourced from PubChem (CID 22467882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).