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

C6H14N2 — CID 20698672

IUPAC(E)-N'-butylethene-1,2-diamine
SMILESCCCCN/C=C/N
InChIInChI=1S/C6H14N2/c1-2-3-5-8-6-4-7/h4,6,8H,2-3,5,7H2,1H3/b6-4+
InChIKeyHWKPWJUIKHWHGP-GQCTYLIASA-N
MW114.19 g/mol
LogP0.81
Rot. Bonds4

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

(E)-N'-butylethene-1,2-diamine (PubChem CID 20698672) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-N'-butylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-butylethene-1,2-diamine
PubChem CID20698672
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-N'-butylethene-1,2-diamine
SMILESCCCCN/C=C/N
InChIInChI=1S/C6H14N2/c1-2-3-5-8-6-4-7/h4,6,8H,2-3,5,7H2,1H3/b6-4+
InChIKeyHWKPWJUIKHWHGP-GQCTYLIASA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.81
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'-butylethene-1,2-diamine?
The IUPAC name of (E)-N'-butylethene-1,2-diamine (CID 20698672) is (E)-N'-butylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-butylethene-1,2-diamine?
The canonical SMILES for (E)-N'-butylethene-1,2-diamine is CCCCN/C=C/N.
What is the InChIKey of (E)-N'-butylethene-1,2-diamine?
The InChIKey is HWKPWJUIKHWHGP-GQCTYLIASA-N. The full InChI is InChI=1S/C6H14N2/c1-2-3-5-8-6-4-7/h4,6,8H,2-3,5,7H2,1H3/b6-4+.
What are the key properties of (E)-N'-butylethene-1,2-diamine?
(E)-N'-butylethene-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-butylethene-1,2-diamine is sourced from PubChem (CID 20698672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).