(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine

C8H17N3 — CID 5380614

IUPAC(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine
SMILESC/C(CC(C)(C)N1CC1)=N\N
InChIInChI=1S/C8H17N3/c1-7(10-9)6-8(2,3)11-4-5-11/h4-6,9H2,1-3H3/b10-7+
InChIKeyCQSWXLGSHIURIP-JXMROGBWSA-N
MW155.24 g/mol
LogP0.81
Rot. Bonds3

About (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine

(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine (PubChem CID 5380614) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine
PubChem CID5380614
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine
SMILESC/C(CC(C)(C)N1CC1)=N\N
InChIInChI=1S/C8H17N3/c1-7(10-9)6-8(2,3)11-4-5-11/h4-6,9H2,1-3H3/b10-7+
InChIKeyCQSWXLGSHIURIP-JXMROGBWSA-N
XLogP0.81
TPSA41.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine?
The IUPAC name of (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine (CID 5380614) is (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine.
What is the SMILES notation for (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine?
The canonical SMILES for (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine is C/C(CC(C)(C)N1CC1)=N\N.
What is the InChIKey of (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine?
The InChIKey is CQSWXLGSHIURIP-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(10-9)6-8(2,3)11-4-5-11/h4-6,9H2,1-3H3/b10-7+.
What are the key properties of (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine?
(E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine has a molecular weight of 155.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[4-(aziridin-1-yl)-4-methylpentan-2-ylidene]hydrazine is sourced from PubChem (CID 5380614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).