(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine

C6H15N3O — CID 144877664

IUPAC(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine
SMILESCO/C(NN)=C(/N)C(C)C
InChIInChI=1S/C6H15N3O/c1-4(2)5(7)6(9-8)10-3/h4,9H,7-8H2,1-3H3/b6-5+
InChIKeyNHXYUMXTNOWGSS-AATRIKPKSA-N
MW145.21 g/mol
LogP-0.12
Rot. Bonds3

About (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine

(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine (PubChem CID 144877664) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine
PubChem CID144877664
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine
SMILESCO/C(NN)=C(/N)C(C)C
InChIInChI=1S/C6H15N3O/c1-4(2)5(7)6(9-8)10-3/h4,9H,7-8H2,1-3H3/b6-5+
InChIKeyNHXYUMXTNOWGSS-AATRIKPKSA-N
XLogP-0.12
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine?
The IUPAC name of (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine (CID 144877664) is (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine.
What is the SMILES notation for (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine?
The canonical SMILES for (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine is CO/C(NN)=C(/N)C(C)C.
What is the InChIKey of (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine?
The InChIKey is NHXYUMXTNOWGSS-AATRIKPKSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4(2)5(7)6(9-8)10-3/h4,9H,7-8H2,1-3H3/b6-5+.
What are the key properties of (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine?
(E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine has a molecular weight of 145.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydrazinyl-1-methoxy-3-methylbut-1-en-2-amine is sourced from PubChem (CID 144877664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).