(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine

C5H11N3 — CID 137384150

IUPAC(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine
SMILESCC(=C/N)/C(N)=C\N
InChIInChI=1S/C5H11N3/c1-4(2-6)5(8)3-7/h2-3H,6-8H2,1H3/b4-2-,5-3+
InChIKeyCUQQDDKHADPFMI-VOERYJCWSA-N
MW113.16 g/mol
LogP-0.39
Rot. Bonds1

About (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine

(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine (PubChem CID 137384150) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine
PubChem CID137384150
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine
SMILESCC(=C/N)/C(N)=C\N
InChIInChI=1S/C5H11N3/c1-4(2-6)5(8)3-7/h2-3H,6-8H2,1H3/b4-2-,5-3+
InChIKeyCUQQDDKHADPFMI-VOERYJCWSA-N
XLogP-0.39
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-1-ene-1,2-diamine
CID 18688578
(Z)-2-methylbut-1-ene-1,3-diamine
CID 59335461
2-Methylbut-1-ene-1,3-diamine
CID 72258032
But-1-ene-1,2-diamine
CID 73456898
(Z)-2-ethylprop-1-ene-1,3-diamine
CID 87664762
(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine
CID 89001508
(E)-3-methylbut-1-ene-1,2-diamine
CID 89203497
3-Methylidenepent-4-ene-1,4-diamine
CID 90246599
(E)-2-methylbut-1-ene-1,3-diamine
CID 90453422
(1E,3Z)-3-methylhexa-1,3,5-triene-1,2-diamine
CID 117838305
(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine
CID 126731686
(1Z,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 129057879

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine?
The IUPAC name of (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine (CID 137384150) is (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine?
The canonical SMILES for (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine is CC(=C/N)/C(N)=C\N.
What is the InChIKey of (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine?
The InChIKey is CUQQDDKHADPFMI-VOERYJCWSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2-6)5(8)3-7/h2-3H,6-8H2,1H3/b4-2-,5-3+.
What are the key properties of (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine?
(1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine has a molecular weight of 113.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-methylbuta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 137384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).