1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine

C14H26N2O — CID 105277567

IUPAC1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-4-5-6-9-13(16-15)14(17-3)10-7-8-12(2)11-14/h12-13,16H,6-11,15H2,1-3H3
InChIKeyITBLWEAPIDYTJR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.22
Rot. Bonds5

About 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine

1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine (PubChem CID 105277567) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
PubChem CID105277567
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-4-5-6-9-13(16-15)14(17-3)10-7-8-12(2)11-14/h12-13,16H,6-11,15H2,1-3H3
InChIKeyITBLWEAPIDYTJR-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
CID 105278064
1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
CID 105277517
[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)-N-methylhex-4-yn-1-amine
CID 104807491
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxycyclobutyl)pent-3-ynylhydrazine
CID 105270283
[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-methoxycyclohexyl)pent-3-ynylhydrazine
CID 105275981
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine (CID 105277567) is 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine is CC#CCCC(NN)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine?
The InChIKey is ITBLWEAPIDYTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-6-9-13(16-15)14(17-3)10-7-8-12(2)11-14/h12-13,16H,6-11,15H2,1-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine?
1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine has a molecular weight of 238.37 g/mol, XLogP of 2.22, 5 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)hex-4-ynylhydrazine is sourced from PubChem (CID 105277567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).