1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine

C15H28N2O — CID 105278064

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-5-6-7-8-13(17-16)15(18-4)11-9-14(2,3)10-12-15/h13,17H,7-12,16H2,1-4H3
InChIKeyMYKSBGWGMCQPRF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.61
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine

1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine (PubChem CID 105278064) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
PubChem CID105278064
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-5-6-7-8-13(17-16)15(18-4)11-9-14(2,3)10-12-15/h13,17H,7-12,16H2,1-4H3
InChIKeyMYKSBGWGMCQPRF-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine (CID 105278064) is 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine is CC#CCCC(NN)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine?
The InChIKey is MYKSBGWGMCQPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-8-13(17-16)15(18-4)11-9-14(2,3)10-12-15/h13,17H,7-12,16H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine?
1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine has a molecular weight of 252.40 g/mol, XLogP of 2.61, 5 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)hex-4-ynylhydrazine is sourced from PubChem (CID 105278064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).