N-[(E)-prop-1-enyl]dodecan-1-amine

C15H31N — CID 88674859

IUPACN-[(E)-prop-1-enyl]dodecan-1-amine
SMILESC/C=C/NCCCCCCCCCCCC
InChIInChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14,16H,3,5-13,15H2,1-2H3/b14-4+
InChIKeyLOUZRQUOKYMSAU-LNKIKWGQSA-N
MW225.42 g/mol
LogP5.03
Rot. Bonds12

About N-[(E)-prop-1-enyl]dodecan-1-amine

N-[(E)-prop-1-enyl]dodecan-1-amine (PubChem CID 88674859) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[(E)-prop-1-enyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[(E)-prop-1-enyl]dodecan-1-amine
PubChem CID88674859
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[(E)-prop-1-enyl]dodecan-1-amine
SMILESC/C=C/NCCCCCCCCCCCC
InChIInChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14,16H,3,5-13,15H2,1-2H3/b14-4+
InChIKeyLOUZRQUOKYMSAU-LNKIKWGQSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
N-ethenyltetradecan-1-amine
CID 175788828
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
CID 87608116
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
ethane;N-pentylformamide
CID 145350301
N-ethenylpentan-1-amine
CID 87131661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-prop-1-enyl]dodecan-1-amine?
The IUPAC name of N-[(E)-prop-1-enyl]dodecan-1-amine (CID 88674859) is N-[(E)-prop-1-enyl]dodecan-1-amine.
What is the SMILES notation for N-[(E)-prop-1-enyl]dodecan-1-amine?
The canonical SMILES for N-[(E)-prop-1-enyl]dodecan-1-amine is C/C=C/NCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-prop-1-enyl]dodecan-1-amine?
The InChIKey is LOUZRQUOKYMSAU-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4,14,16H,3,5-13,15H2,1-2H3/b14-4+.
What are the key properties of N-[(E)-prop-1-enyl]dodecan-1-amine?
N-[(E)-prop-1-enyl]dodecan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-prop-1-enyl]dodecan-1-amine is sourced from PubChem (CID 88674859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).