(5-methoxy-2-methylhept-1-en-4-yl)hydrazine

C9H20N2O — CID 105270820

IUPAC(5-methoxy-2-methylhept-1-en-4-yl)hydrazine
SMILESC=C(C)CC(NN)C(CC)OC
InChIInChI=1S/C9H20N2O/c1-5-9(12-4)8(11-10)6-7(2)3/h8-9,11H,2,5-6,10H2,1,3-4H3
InChIKeyAFDRSPKOTNHNCU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.21
Rot. Bonds6

About (5-methoxy-2-methylhept-1-en-4-yl)hydrazine

(5-methoxy-2-methylhept-1-en-4-yl)hydrazine (PubChem CID 105270820) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (5-methoxy-2-methylhept-1-en-4-yl)hydrazine.

Molecular Properties

Compound Name(5-methoxy-2-methylhept-1-en-4-yl)hydrazine
PubChem CID105270820
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(5-methoxy-2-methylhept-1-en-4-yl)hydrazine
SMILESC=C(C)CC(NN)C(CC)OC
InChIInChI=1S/C9H20N2O/c1-5-9(12-4)8(11-10)6-7(2)3/h8-9,11H,2,5-6,10H2,1,3-4H3
InChIKeyAFDRSPKOTNHNCU-UHFFFAOYSA-N
XLogP1.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.21
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 (5-methoxy-2-methylhept-1-en-4-yl)hydrazine?
The IUPAC name of (5-methoxy-2-methylhept-1-en-4-yl)hydrazine (CID 105270820) is (5-methoxy-2-methylhept-1-en-4-yl)hydrazine.
What is the SMILES notation for (5-methoxy-2-methylhept-1-en-4-yl)hydrazine?
The canonical SMILES for (5-methoxy-2-methylhept-1-en-4-yl)hydrazine is C=C(C)CC(NN)C(CC)OC.
What is the InChIKey of (5-methoxy-2-methylhept-1-en-4-yl)hydrazine?
The InChIKey is AFDRSPKOTNHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-9(12-4)8(11-10)6-7(2)3/h8-9,11H,2,5-6,10H2,1,3-4H3.
What are the key properties of (5-methoxy-2-methylhept-1-en-4-yl)hydrazine?
(5-methoxy-2-methylhept-1-en-4-yl)hydrazine has a molecular weight of 172.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methylhept-1-en-4-yl)hydrazine is sourced from PubChem (CID 105270820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).