1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine

C13H26N2O — CID 105277517

IUPAC1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-12(15-14)13(16-3)9-6-7-11(2)10-13/h4,11-12,15H,1,5-10,14H2,2-3H3
InChIKeyYPLSPNZCNNWCGO-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.38
Rot. Bonds6

About 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine

1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine (PubChem CID 105277517) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
PubChem CID105277517
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-8-12(15-14)13(16-3)9-6-7-11(2)10-13/h4,11-12,15H,1,5-10,14H2,2-3H3
InChIKeyYPLSPNZCNNWCGO-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.38
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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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
CID 105277567
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
CID 116767736
[1-(1-methoxy-3-methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105277619
[1-(1-methoxy-3-methylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105277608
1-(1-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
[1-(1-methoxy-3-methylcyclohexyl)-2-thiophen-2-ylethyl]hydrazine
CID 105277607
[1-(1-methoxy-3-methylcyclohexyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105277634
[1-(1-methoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105277428
1-(1-hydrazinyloct-7-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 107012549
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine (CID 105277517) is 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine is C=CCCC(NN)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine?
The InChIKey is YPLSPNZCNNWCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-12(15-14)13(16-3)9-6-7-11(2)10-13/h4,11-12,15H,1,5-10,14H2,2-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine?
1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine has a molecular weight of 226.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine is sourced from PubChem (CID 105277517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).