1-chlorooctadec-1-en-1-amine

C18H36ClN — CID 173460084

IUPAC1-chlorooctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=C(N)Cl
InChIInChI=1S/C18H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,2-16,20H2,1H3
InChIKeyHSGODOITPVSDDE-UHFFFAOYSA-N
MW301.95 g/mol
LogP6.90
Rot. Bonds15

About 1-chlorooctadec-1-en-1-amine

1-chlorooctadec-1-en-1-amine (PubChem CID 173460084) has the molecular formula C18H36ClN and a molecular weight of 301.95 g/mol. Its IUPAC name is 1-chlorooctadec-1-en-1-amine.

Molecular Properties

Compound Name1-chlorooctadec-1-en-1-amine
PubChem CID173460084
Molecular FormulaC18H36ClN
Molecular Weight301.95 g/mol
Exact Mass301.25
IUPAC Name1-chlorooctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=C(N)Cl
InChIInChI=1S/C18H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,2-16,20H2,1H3
InChIKeyHSGODOITPVSDDE-UHFFFAOYSA-N
XLogP6.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.95
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricos-1-ene-1,1-diamine
CID 141373485
undec-3-en-3-amine
CID 151904505
(E)-oct-2-en-2-amine
CID 87259480
(E)-octadec-9-en-9-amine
CID 146566069
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
decane;hypochlorous acid
CID 88775425
undec-1-ene-1,1-diol
CID 87556705
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
2-methyldodec-2-enoyl chloride
CID 72833281
1,1-diiodonon-1-ene
CID 141002826

Frequently Asked Questions

What is the IUPAC name of 1-chlorooctadec-1-en-1-amine?
The IUPAC name of 1-chlorooctadec-1-en-1-amine (CID 173460084) is 1-chlorooctadec-1-en-1-amine.
What is the SMILES notation for 1-chlorooctadec-1-en-1-amine?
The canonical SMILES for 1-chlorooctadec-1-en-1-amine is CCCCCCCCCCCCCCCCC=C(N)Cl.
What is the InChIKey of 1-chlorooctadec-1-en-1-amine?
The InChIKey is HSGODOITPVSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36ClN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17H,2-16,20H2,1H3.
What are the key properties of 1-chlorooctadec-1-en-1-amine?
1-chlorooctadec-1-en-1-amine has a molecular weight of 301.95 g/mol, XLogP of 6.90, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorooctadec-1-en-1-amine is sourced from PubChem (CID 173460084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).