1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine

C15H28N2O — CID 105278459

IUPAC1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1(OCC)CCCCCC1
InChIInChI=1S/C15H28N2O/c1-3-5-8-11-14(17-16)15(18-4-2)12-9-6-7-10-13-15/h1,14,17H,4-13,16H2,2H3
InChIKeyWMIIUOJTXOOWHM-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.75
Rot. Bonds7

About 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine

1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine (PubChem CID 105278459) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine
PubChem CID105278459
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1(OCC)CCCCCC1
InChIInChI=1S/C15H28N2O/c1-3-5-8-11-14(17-16)15(18-4-2)12-9-6-7-10-13-15/h1,14,17H,4-13,16H2,2H3
InChIKeyWMIIUOJTXOOWHM-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
CID 116764086
[1-(1-ethoxycyclopentyl)-4-ethylsulfonylbutyl]hydrazine
CID 105275655
[1-(1-ethoxycyclopentyl)-2-methoxyethyl]hydrazine
CID 105275816
[1-(1-ethoxycyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105276293
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
[2-(3,5-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276272
1-(1-methoxycycloheptyl)heptylhydrazine
CID 105278282
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
[2-(2,6-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276343

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine (CID 105278459) is 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine is C#CCCCC(NN)C1(OCC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine?
The InChIKey is WMIIUOJTXOOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-8-11-14(17-16)15(18-4-2)12-9-6-7-10-13-15/h1,14,17H,4-13,16H2,2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine?
1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine has a molecular weight of 252.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105278459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).