(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene

C9H21N3 — CID 139570716

IUPAC(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene
SMILESCNNN(/C=C/C(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-8(2)6-7-12(9(3)4)11-10-5/h6-11H,1-5H3/b7-6+
InChIKeyQXWPNNLDBFQROZ-VOTSOKGWSA-N
MW171.29 g/mol
LogP1.51
Rot. Bonds5

About (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene

(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene (PubChem CID 139570716) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene.

Molecular Properties

Compound Name(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene
PubChem CID139570716
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene
SMILESCNNN(/C=C/C(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-8(2)6-7-12(9(3)4)11-10-5/h6-11H,1-5H3/b7-6+
InChIKeyQXWPNNLDBFQROZ-VOTSOKGWSA-N
XLogP1.51
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene?
The IUPAC name of (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene (CID 139570716) is (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene.
What is the SMILES notation for (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene?
The canonical SMILES for (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene is CNNN(/C=C/C(C)C)C(C)C.
What is the InChIKey of (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene?
The InChIKey is QXWPNNLDBFQROZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(2)6-7-12(9(3)4)11-10-5/h6-11H,1-5H3/b7-6+.
What are the key properties of (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene?
(E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene has a molecular weight of 171.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-[(2-methylhydrazinyl)-propan-2-ylamino]but-1-ene is sourced from PubChem (CID 139570716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).