but-1-ene-1,3-diamine

C4H10N2 — CID 72586665

IUPACbut-1-ene-1,3-diamine
SMILESCC(N)C=CN
InChIInChI=1S/C4H10N2/c1-4(6)2-3-5/h2-4H,5-6H2,1H3
InChIKeyXIDPCCXRVFWISI-UHFFFAOYSA-N
MW86.14 g/mol
LogP-0.19
Rot. Bonds1

About but-1-ene-1,3-diamine

but-1-ene-1,3-diamine (PubChem CID 72586665) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is but-1-ene-1,3-diamine.

Molecular Properties

Compound Namebut-1-ene-1,3-diamine
PubChem CID72586665
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Namebut-1-ene-1,3-diamine
SMILESCC(N)C=CN
InChIInChI=1S/C4H10N2/c1-4(6)2-3-5/h2-4H,5-6H2,1H3
InChIKeyXIDPCCXRVFWISI-UHFFFAOYSA-N
XLogP-0.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 but-1-ene-1,3-diamine?
The IUPAC name of but-1-ene-1,3-diamine (CID 72586665) is but-1-ene-1,3-diamine.
What is the SMILES notation for but-1-ene-1,3-diamine?
The canonical SMILES for but-1-ene-1,3-diamine is CC(N)C=CN.
What is the InChIKey of but-1-ene-1,3-diamine?
The InChIKey is XIDPCCXRVFWISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-4(6)2-3-5/h2-4H,5-6H2,1H3.
What are the key properties of but-1-ene-1,3-diamine?
but-1-ene-1,3-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-1,3-diamine is sourced from PubChem (CID 72586665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).