octadec-17-ene-1,1-diamine

C18H38N2 — CID 87111501

IUPACoctadec-17-ene-1,1-diamine
SMILESC=CCCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,18H,1,3-17,19-20H2
InChIKeyMJGFJDYCRWFDJR-UHFFFAOYSA-N
MW282.52 g/mol
LogP5.27
Rot. Bonds16

About octadec-17-ene-1,1-diamine

octadec-17-ene-1,1-diamine (PubChem CID 87111501) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is octadec-17-ene-1,1-diamine.

Molecular Properties

Compound Nameoctadec-17-ene-1,1-diamine
PubChem CID87111501
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nameoctadec-17-ene-1,1-diamine
SMILESC=CCCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,18H,1,3-17,19-20H2
InChIKeyMJGFJDYCRWFDJR-UHFFFAOYSA-N
XLogP5.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

heptacosa-1,26-diene
CID 58905535
dodecane-1,1,12,12-tetramine
CID 57282204
heptadeca-1,16-diene
CID 6429392
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
hex-5-ene-1,1-diamine;methylphosphonic acid
CID 21397790
25-methylhexacos-1-ene
CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799
26-methylheptacos-1-ene
CID 154926473
4-methyldodec-11-en-3-amine
CID 141026848
1,1-dimethoxynon-8-en-2-amine
CID 107009425
nona-1,8-dien-4-amine
CID 116660372
4-dodeca-1,11-dien-4-yloxydodeca-1,11-diene
CID 88718946

Frequently Asked Questions

What is the IUPAC name of octadec-17-ene-1,1-diamine?
The IUPAC name of octadec-17-ene-1,1-diamine (CID 87111501) is octadec-17-ene-1,1-diamine.
What is the SMILES notation for octadec-17-ene-1,1-diamine?
The canonical SMILES for octadec-17-ene-1,1-diamine is C=CCCCCCCCCCCCCCCCC(N)N.
What is the InChIKey of octadec-17-ene-1,1-diamine?
The InChIKey is MJGFJDYCRWFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,18H,1,3-17,19-20H2.
What are the key properties of octadec-17-ene-1,1-diamine?
octadec-17-ene-1,1-diamine has a molecular weight of 282.52 g/mol, XLogP of 5.27, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-17-ene-1,1-diamine is sourced from PubChem (CID 87111501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).