1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine

C13H24N2O — CID 105278045

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C13H24N2O/c1-5-6-11(15-14)13(16-4)9-7-12(2,3)8-10-13/h1,11,15H,6-10,14H2,2-4H3
InChIKeySFNMWNKAMMJWQV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds4

About 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine

1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine (PubChem CID 105278045) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine
PubChem CID105278045
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C13H24N2O/c1-5-6-11(15-14)13(16-4)9-7-12(2,3)8-10-13/h1,11,15H,6-10,14H2,2-4H3
InChIKeySFNMWNKAMMJWQV-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
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)-3-methylpentyl]hydrazine
CID 105278075
1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
CID 105278064
1-(1-methoxycyclobutyl)pent-3-ynylhydrazine
CID 105270283
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
CID 116770145
1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
CID 105275981
[1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105277972
1-(1-methoxycyclopentyl)prop-2-ynylhydrazine
CID 105268683
1-(1-methoxycyclohexyl)prop-2-ynylhydrazine
CID 105276008
[2-cyclopropyl-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275891
2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769375
[(3,5-dimethylcyclohexyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278079
[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine (CID 105278045) is 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine is C#CCC(NN)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine?
The InChIKey is SFNMWNKAMMJWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-11(15-14)13(16-4)9-7-12(2,3)8-10-13/h1,11,15H,6-10,14H2,2-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine?
1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine has a molecular weight of 224.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine is sourced from PubChem (CID 105278045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).