1-(1-methoxycyclohexyl)pent-3-ynylhydrazine

C12H22N2O — CID 105275981

IUPAC1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)C1(OC)CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-4-8-11(14-13)12(15-2)9-6-5-7-10-12/h11,14H,5-10,13H2,1-2H3
InChIKeyCYEOHQIRCVDINN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds4

About 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine

1-(1-methoxycyclohexyl)pent-3-ynylhydrazine (PubChem CID 105275981) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
PubChem CID105275981
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)C1(OC)CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-4-8-11(14-13)12(15-2)9-6-5-7-10-12/h11,14H,5-10,13H2,1-2H3
InChIKeyCYEOHQIRCVDINN-UHFFFAOYSA-N
XLogP1.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
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-methoxycyclobutyl)pent-3-ynylhydrazine
CID 105270283
1-(1-methoxycyclopentyl)-N-methylpent-3-yn-1-amine
CID 104610913
1-(1-methoxycycloheptyl)butylhydrazine
CID 105278151
[2-cyclopropyl-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275891
1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
CID 104807491
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130
[4,4,4-trifluoro-1-(1-methoxycyclohexyl)butyl]hydrazine
CID 105275901
1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine
CID 105278045
1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
CID 105278064
1-(1-methoxycycloheptyl)heptylhydrazine
CID 105278282
1-(1-methoxycyclohexyl)prop-2-ynylhydrazine
CID 105276008
[1-(1-methoxycyclopentyl)-4,4-dimethylpentyl]hydrazine
CID 105268753

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine?
The IUPAC name of 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine (CID 105275981) is 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine is CC#CCC(NN)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine?
The InChIKey is CYEOHQIRCVDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-8-11(14-13)12(15-2)9-6-5-7-10-12/h11,14H,5-10,13H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine?
1-(1-methoxycyclohexyl)pent-3-ynylhydrazine has a molecular weight of 210.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)pent-3-ynylhydrazine is sourced from PubChem (CID 105275981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).