but-1-ene-1,1,4-triamine

C4H11N3 — CID 141046878

IUPACbut-1-ene-1,1,4-triamine
SMILESNCCC=C(N)N
InChIInChI=1S/C4H11N3/c5-3-1-2-4(6)7/h2H,1,3,5-7H2
InChIKeyZOXCVTBGVPLFML-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.91
Rot. Bonds2

About but-1-ene-1,1,4-triamine

but-1-ene-1,1,4-triamine (PubChem CID 141046878) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is but-1-ene-1,1,4-triamine.

Molecular Properties

Compound Namebut-1-ene-1,1,4-triamine
PubChem CID141046878
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Namebut-1-ene-1,1,4-triamine
SMILESNCCC=C(N)N
InChIInChI=1S/C4H11N3/c5-3-1-2-4(6)7/h2H,1,3,5-7H2
InChIKeyZOXCVTBGVPLFML-UHFFFAOYSA-N
XLogP-0.91
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of but-1-ene-1,1,4-triamine?
The IUPAC name of but-1-ene-1,1,4-triamine (CID 141046878) is but-1-ene-1,1,4-triamine.
What is the SMILES notation for but-1-ene-1,1,4-triamine?
The canonical SMILES for but-1-ene-1,1,4-triamine is NCCC=C(N)N.
What is the InChIKey of but-1-ene-1,1,4-triamine?
The InChIKey is ZOXCVTBGVPLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c5-3-1-2-4(6)7/h2H,1,3,5-7H2.
What are the key properties of but-1-ene-1,1,4-triamine?
but-1-ene-1,1,4-triamine has a molecular weight of 101.15 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-1,1,4-triamine is sourced from PubChem (CID 141046878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).