N-octadec-17-enyloctadec-9-en-1-amine

C36H71N — CID 123898051

IUPACN-octadec-17-enyloctadec-9-en-1-amine
SMILESC=CCCCCCCCCCCCCCCCCNCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20,37H,1,4-17,19,21-36H2,2H3
InChIKeyNFWRCGZXKITIOL-UHFFFAOYSA-N
MW517.97 g/mol
LogP12.65
Rot. Bonds33

About N-octadec-17-enyloctadec-9-en-1-amine

N-octadec-17-enyloctadec-9-en-1-amine (PubChem CID 123898051) has the molecular formula C36H71N and a molecular weight of 517.97 g/mol. Its IUPAC name is N-octadec-17-enyloctadec-9-en-1-amine.

Molecular Properties

Compound NameN-octadec-17-enyloctadec-9-en-1-amine
PubChem CID123898051
Molecular FormulaC36H71N
Molecular Weight517.97 g/mol
Exact Mass517.56
IUPAC NameN-octadec-17-enyloctadec-9-en-1-amine
SMILESC=CCCCCCCCCCCCCCCCCNCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20,37H,1,4-17,19,21-36H2,2H3
InChIKeyNFWRCGZXKITIOL-UHFFFAOYSA-N
XLogP12.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.97
LogP ≤ 512.65
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

N-pent-4-enyloctan-1-amine
CID 79006791
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265
triaconta-1,19-diene
CID 54007897

Frequently Asked Questions

What is the IUPAC name of N-octadec-17-enyloctadec-9-en-1-amine?
The IUPAC name of N-octadec-17-enyloctadec-9-en-1-amine (CID 123898051) is N-octadec-17-enyloctadec-9-en-1-amine.
What is the SMILES notation for N-octadec-17-enyloctadec-9-en-1-amine?
The canonical SMILES for N-octadec-17-enyloctadec-9-en-1-amine is C=CCCCCCCCCCCCCCCCCNCCCCCCCCC=CCCCCCCCC.
What is the InChIKey of N-octadec-17-enyloctadec-9-en-1-amine?
The InChIKey is NFWRCGZXKITIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20,37H,1,4-17,19,21-36H2,2H3.
What are the key properties of N-octadec-17-enyloctadec-9-en-1-amine?
N-octadec-17-enyloctadec-9-en-1-amine has a molecular weight of 517.97 g/mol, XLogP of 12.65, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-17-enyloctadec-9-en-1-amine is sourced from PubChem (CID 123898051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).