(E)-but-1-ene-1,4-diamine

C4H10N2 — CID 18474453

IUPAC(E)-but-1-ene-1,4-diamine
SMILESN/C=C/CCN
InChIInChI=1S/C4H10N2/c5-3-1-2-4-6/h1,3H,2,4-6H2/b3-1+
InChIKeyFURSDADPUPTMLG-HNQUOIGGSA-N
MW86.14 g/mol
LogP-0.19
Rot. Bonds2

About (E)-but-1-ene-1,4-diamine

(E)-but-1-ene-1,4-diamine (PubChem CID 18474453) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is (E)-but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-but-1-ene-1,4-diamine
PubChem CID18474453
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Name(E)-but-1-ene-1,4-diamine
SMILESN/C=C/CCN
InChIInChI=1S/C4H10N2/c5-3-1-2-4-6/h1,3H,2,4-6H2/b3-1+
InChIKeyFURSDADPUPTMLG-HNQUOIGGSA-N
XLogP-0.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-but-1-ene-1,4-diamine?
The IUPAC name of (E)-but-1-ene-1,4-diamine (CID 18474453) is (E)-but-1-ene-1,4-diamine.
What is the SMILES notation for (E)-but-1-ene-1,4-diamine?
The canonical SMILES for (E)-but-1-ene-1,4-diamine is N/C=C/CCN.
What is the InChIKey of (E)-but-1-ene-1,4-diamine?
The InChIKey is FURSDADPUPTMLG-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H10N2/c5-3-1-2-4-6/h1,3H,2,4-6H2/b3-1+.
What are the key properties of (E)-but-1-ene-1,4-diamine?
(E)-but-1-ene-1,4-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-1-ene-1,4-diamine is sourced from PubChem (CID 18474453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).