[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine

C18H28N2O — CID 114984729

IUPAC[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
SMILESNNC(CC1OCCc2ccccc21)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c19-20-17(15-8-3-1-2-4-9-15)13-18-16-10-6-5-7-14(16)11-12-21-18/h5-7,10,15,17-18,20H,1-4,8-9,11-13,19H2
InChIKeyKKUFFBFNZRXWBC-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.49
Rot. Bonds4

About [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine

[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine (PubChem CID 114984729) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
PubChem CID114984729
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
SMILESNNC(CC1OCCc2ccccc21)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c19-20-17(15-8-3-1-2-4-9-15)13-18-16-10-6-5-7-14(16)11-12-21-18/h5-7,10,15,17-18,20H,1-4,8-9,11-13,19H2
InChIKeyKKUFFBFNZRXWBC-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.49
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'}

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Related Compounds

N-[1-cyclobutyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]propan-1-amine
CID 64986759
2-cyclopentyl-3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 115926238
[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine
CID 114985317
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 114983786
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
1-cyclopentylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-amine
CID 65138924
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 114984696
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281

Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine?
The IUPAC name of [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine (CID 114984729) is [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine.
What is the SMILES notation for [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine?
The canonical SMILES for [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine is NNC(CC1OCCc2ccccc21)C1CCCCCC1.
What is the InChIKey of [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine?
The InChIKey is KKUFFBFNZRXWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-20-17(15-8-3-1-2-4-9-15)13-18-16-10-6-5-7-14(16)11-12-21-18/h5-7,10,15,17-18,20H,1-4,8-9,11-13,19H2.
What are the key properties of [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine?
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine has a molecular weight of 288.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine is sourced from PubChem (CID 114984729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).