(E)-N'-octylethene-1,2-diamine

C10H22N2 — CID 19762026

IUPAC(E)-N'-octylethene-1,2-diamine
SMILESCCCCCCCCN/C=C/N
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h8,10,12H,2-7,9,11H2,1H3/b10-8+
InChIKeyOJQHMCUEANXAQI-CSKARUKUSA-N
MW170.30 g/mol
LogP2.37
Rot. Bonds8

About (E)-N'-octylethene-1,2-diamine

(E)-N'-octylethene-1,2-diamine (PubChem CID 19762026) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-N'-octylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-octylethene-1,2-diamine
PubChem CID19762026
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-N'-octylethene-1,2-diamine
SMILESCCCCCCCCN/C=C/N
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h8,10,12H,2-7,9,11H2,1H3/b10-8+
InChIKeyOJQHMCUEANXAQI-CSKARUKUSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-octylethene-1,2-diamine?
The IUPAC name of (E)-N'-octylethene-1,2-diamine (CID 19762026) is (E)-N'-octylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-octylethene-1,2-diamine?
The canonical SMILES for (E)-N'-octylethene-1,2-diamine is CCCCCCCCN/C=C/N.
What is the InChIKey of (E)-N'-octylethene-1,2-diamine?
The InChIKey is OJQHMCUEANXAQI-CSKARUKUSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h8,10,12H,2-7,9,11H2,1H3/b10-8+.
What are the key properties of (E)-N'-octylethene-1,2-diamine?
(E)-N'-octylethene-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-octylethene-1,2-diamine is sourced from PubChem (CID 19762026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).