(Z)-N-diazenyl-N-methylbut-2-en-2-amine

C5H11N3 — CID 90315697

IUPAC(Z)-N-diazenyl-N-methylbut-2-en-2-amine
SMILES[H]/N=N/N(C)/C(C)=C\C
InChIInChI=1S/C5H11N3/c1-4-5(2)8(3)7-6/h4,6H,1-3H3/b5-4-,7-6+
InChIKeyXXOXQHQPRZRGNB-SCFJQAPRSA-N
MW113.16 g/mol
LogP1.79
Rot. Bonds2

About (Z)-N-diazenyl-N-methylbut-2-en-2-amine

(Z)-N-diazenyl-N-methylbut-2-en-2-amine (PubChem CID 90315697) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-N-diazenyl-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diazenyl-N-methylbut-2-en-2-amine
PubChem CID90315697
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(Z)-N-diazenyl-N-methylbut-2-en-2-amine
SMILES[H]/N=N/N(C)/C(C)=C\C
InChIInChI=1S/C5H11N3/c1-4-5(2)8(3)7-6/h4,6H,1-3H3/b5-4-,7-6+
InChIKeyXXOXQHQPRZRGNB-SCFJQAPRSA-N
XLogP1.79
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-diazenyl-N-methylbut-2-en-2-amine?
The IUPAC name of (Z)-N-diazenyl-N-methylbut-2-en-2-amine (CID 90315697) is (Z)-N-diazenyl-N-methylbut-2-en-2-amine.
What is the SMILES notation for (Z)-N-diazenyl-N-methylbut-2-en-2-amine?
The canonical SMILES for (Z)-N-diazenyl-N-methylbut-2-en-2-amine is [H]/N=N/N(C)/C(C)=C\C.
What is the InChIKey of (Z)-N-diazenyl-N-methylbut-2-en-2-amine?
The InChIKey is XXOXQHQPRZRGNB-SCFJQAPRSA-N. The full InChI is InChI=1S/C5H11N3/c1-4-5(2)8(3)7-6/h4,6H,1-3H3/b5-4-,7-6+.
What are the key properties of (Z)-N-diazenyl-N-methylbut-2-en-2-amine?
(Z)-N-diazenyl-N-methylbut-2-en-2-amine has a molecular weight of 113.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-diazenyl-N-methylbut-2-en-2-amine is sourced from PubChem (CID 90315697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).