(7-methoxy-5-methylhept-1-en-4-yl)hydrazine

C9H20N2O — CID 105269586

IUPAC(7-methoxy-5-methylhept-1-en-4-yl)hydrazine
SMILESC=CCC(NN)C(C)CCOC
InChIInChI=1S/C9H20N2O/c1-4-5-9(11-10)8(2)6-7-12-3/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyLSPCQHABZBNZIQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.07
Rot. Bonds7

About (7-methoxy-5-methylhept-1-en-4-yl)hydrazine

(7-methoxy-5-methylhept-1-en-4-yl)hydrazine (PubChem CID 105269586) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (7-methoxy-5-methylhept-1-en-4-yl)hydrazine.

Molecular Properties

Compound Name(7-methoxy-5-methylhept-1-en-4-yl)hydrazine
PubChem CID105269586
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(7-methoxy-5-methylhept-1-en-4-yl)hydrazine
SMILESC=CCC(NN)C(C)CCOC
InChIInChI=1S/C9H20N2O/c1-4-5-9(11-10)8(2)6-7-12-3/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyLSPCQHABZBNZIQ-UHFFFAOYSA-N
XLogP1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (7-methoxy-5-methylhept-1-en-4-yl)hydrazine?
The IUPAC name of (7-methoxy-5-methylhept-1-en-4-yl)hydrazine (CID 105269586) is (7-methoxy-5-methylhept-1-en-4-yl)hydrazine.
What is the SMILES notation for (7-methoxy-5-methylhept-1-en-4-yl)hydrazine?
The canonical SMILES for (7-methoxy-5-methylhept-1-en-4-yl)hydrazine is C=CCC(NN)C(C)CCOC.
What is the InChIKey of (7-methoxy-5-methylhept-1-en-4-yl)hydrazine?
The InChIKey is LSPCQHABZBNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-9(11-10)8(2)6-7-12-3/h4,8-9,11H,1,5-7,10H2,2-3H3.
What are the key properties of (7-methoxy-5-methylhept-1-en-4-yl)hydrazine?
(7-methoxy-5-methylhept-1-en-4-yl)hydrazine has a molecular weight of 172.27 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-methylhept-1-en-4-yl)hydrazine is sourced from PubChem (CID 105269586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).