(3-butyl-4-methylideneheptan-2-yl)hydrazine

C12H26N2 — CID 146181027

IUPAC(3-butyl-4-methylideneheptan-2-yl)hydrazine
SMILESC=C(CCC)C(CCCC)C(C)NN
InChIInChI=1S/C12H26N2/c1-5-7-9-12(11(4)14-13)10(3)8-6-2/h11-12,14H,3,5-9,13H2,1-2,4H3
InChIKeyJSNGVQWPCMNQHP-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.00
Rot. Bonds8

About (3-butyl-4-methylideneheptan-2-yl)hydrazine

(3-butyl-4-methylideneheptan-2-yl)hydrazine (PubChem CID 146181027) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (3-butyl-4-methylideneheptan-2-yl)hydrazine.

Molecular Properties

Compound Name(3-butyl-4-methylideneheptan-2-yl)hydrazine
PubChem CID146181027
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(3-butyl-4-methylideneheptan-2-yl)hydrazine
SMILESC=C(CCC)C(CCCC)C(C)NN
InChIInChI=1S/C12H26N2/c1-5-7-9-12(11(4)14-13)10(3)8-6-2/h11-12,14H,3,5-9,13H2,1-2,4H3
InChIKeyJSNGVQWPCMNQHP-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (3-butyl-4-methylideneheptan-2-yl)hydrazine?
The IUPAC name of (3-butyl-4-methylideneheptan-2-yl)hydrazine (CID 146181027) is (3-butyl-4-methylideneheptan-2-yl)hydrazine.
What is the SMILES notation for (3-butyl-4-methylideneheptan-2-yl)hydrazine?
The canonical SMILES for (3-butyl-4-methylideneheptan-2-yl)hydrazine is C=C(CCC)C(CCCC)C(C)NN.
What is the InChIKey of (3-butyl-4-methylideneheptan-2-yl)hydrazine?
The InChIKey is JSNGVQWPCMNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-9-12(11(4)14-13)10(3)8-6-2/h11-12,14H,3,5-9,13H2,1-2,4H3.
What are the key properties of (3-butyl-4-methylideneheptan-2-yl)hydrazine?
(3-butyl-4-methylideneheptan-2-yl)hydrazine has a molecular weight of 198.35 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-4-methylideneheptan-2-yl)hydrazine is sourced from PubChem (CID 146181027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).