(E)-but-1-ene-1,2,3-triamine

C4H11N3 — CID 87249857

IUPAC(E)-but-1-ene-1,2,3-triamine
SMILESCC(N)/C(N)=C\N
InChIInChI=1S/C4H11N3/c1-3(6)4(7)2-5/h2-3H,5-7H2,1H3/b4-2+
InChIKeyNRPREXAZMRESLT-DUXPYHPUSA-N
MW101.15 g/mol
LogP-0.91
Rot. Bonds1

About (E)-but-1-ene-1,2,3-triamine

(E)-but-1-ene-1,2,3-triamine (PubChem CID 87249857) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-but-1-ene-1,2,3-triamine.

Molecular Properties

Compound Name(E)-but-1-ene-1,2,3-triamine
PubChem CID87249857
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name(E)-but-1-ene-1,2,3-triamine
SMILESCC(N)/C(N)=C\N
InChIInChI=1S/C4H11N3/c1-3(6)4(7)2-5/h2-3H,5-7H2,1H3/b4-2+
InChIKeyNRPREXAZMRESLT-DUXPYHPUSA-N
XLogP-0.91
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
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 (E)-but-1-ene-1,2,3-triamine?
The IUPAC name of (E)-but-1-ene-1,2,3-triamine (CID 87249857) is (E)-but-1-ene-1,2,3-triamine.
What is the SMILES notation for (E)-but-1-ene-1,2,3-triamine?
The canonical SMILES for (E)-but-1-ene-1,2,3-triamine is CC(N)/C(N)=C\N.
What is the InChIKey of (E)-but-1-ene-1,2,3-triamine?
The InChIKey is NRPREXAZMRESLT-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H11N3/c1-3(6)4(7)2-5/h2-3H,5-7H2,1H3/b4-2+.
What are the key properties of (E)-but-1-ene-1,2,3-triamine?
(E)-but-1-ene-1,2,3-triamine has a molecular weight of 101.15 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-1-ene-1,2,3-triamine is sourced from PubChem (CID 87249857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).