(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine

C16H30N2O — CID 114190776

IUPAC(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine
SMILESCOC(C1CCCCC1)C(CC#CC(C)(C)C)NN
InChIInChI=1S/C16H30N2O/c1-16(2,3)12-8-11-14(18-17)15(19-4)13-9-6-5-7-10-13/h13-15,18H,5-7,9-11,17H2,1-4H3
InChIKeyJPJKNQCKNJIQIQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.85
Rot. Bonds5

About (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine

(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine (PubChem CID 114190776) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine.

Molecular Properties

Compound Name(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine
PubChem CID114190776
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine
SMILESCOC(C1CCCCC1)C(CC#CC(C)(C)C)NN
InChIInChI=1S/C16H30N2O/c1-16(2,3)12-8-11-14(18-17)15(19-4)13-9-6-5-7-10-13/h13-15,18H,5-7,9-11,17H2,1-4H3
InChIKeyJPJKNQCKNJIQIQ-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.85
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-(3,3-Difluorocyclohexyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 114225996
(1-Cyclohexyl-2-propoxyethyl)hydrazine
CID 105201718
(1-Cyclohexyl-2-ethoxyethyl)hydrazine
CID 105201790
(1-Cyclohexyl-2-methoxyethyl)hydrazine
CID 105201918
(1-Cyclohexyl-2-propan-2-yloxyethyl)hydrazine
CID 105201947
(4-Ethyl-1-methoxyoctan-2-yl)hydrazine
CID 105207173
(1-Cyclohexyl-3-methoxypropan-2-yl)hydrazine
CID 105207179
[1-(4-Ethylcyclohexyl)-2-methoxyethyl]hydrazine
CID 105207231
[1-(2-Ethylcyclohexyl)-2-methoxyethyl]hydrazine
CID 105207248
[2-Methoxy-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105207275
(1-Cyclohexyl-3-propoxypropan-2-yl)hydrazine
CID 105209964
[1-(3-Methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105210429

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine?
The IUPAC name of (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine (CID 114190776) is (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine.
What is the SMILES notation for (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine?
The canonical SMILES for (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine is COC(C1CCCCC1)C(CC#CC(C)(C)C)NN.
What is the InChIKey of (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine?
The InChIKey is JPJKNQCKNJIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)12-8-11-14(18-17)15(19-4)13-9-6-5-7-10-13/h13-15,18H,5-7,9-11,17H2,1-4H3.
What are the key properties of (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine?
(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine has a molecular weight of 266.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine is sourced from PubChem (CID 114190776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).