[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine

C17H23N3O — CID 62245639

IUPAC[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
SMILESCC1CCCC(OCc2cc3ccccc3nc2NN)C1
InChIInChI=1S/C17H23N3O/c1-12-5-4-7-15(9-12)21-11-14-10-13-6-2-3-8-16(13)19-17(14)20-18/h2-3,6,8,10,12,15H,4-5,7,9,11,18H2,1H3,(H,19,20)
InChIKeyKTHSORJMOQANDW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds4

About [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine

[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine (PubChem CID 62245639) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
PubChem CID62245639
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
SMILESCC1CCCC(OCc2cc3ccccc3nc2NN)C1
InChIInChI=1S/C17H23N3O/c1-12-5-4-7-15(9-12)21-11-14-10-13-6-2-3-8-16(13)19-17(14)20-18/h2-3,6,8,10,12,15H,4-5,7,9,11,18H2,1H3,(H,19,20)
InChIKeyKTHSORJMOQANDW-UHFFFAOYSA-N
XLogP3.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-[(4-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245063
[3-[(4-methylpiperidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62246122
3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
CID 64744814
3-(cyclohexyloxymethyl)quinolin-2-amine
CID 62194016
[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine
CID 55050615
[5-chloro-6-[(3-methylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 62887207
[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 79184116
3-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 63535243
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865938
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62250641
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
[3-(thiophen-2-ylmethoxymethyl)quinolin-2-yl]hydrazine
CID 62246558

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine?
The IUPAC name of [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine (CID 62245639) is [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine?
The canonical SMILES for [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine is CC1CCCC(OCc2cc3ccccc3nc2NN)C1.
What is the InChIKey of [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine?
The InChIKey is KTHSORJMOQANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-4-7-15(9-12)21-11-14-10-13-6-2-3-8-16(13)19-17(14)20-18/h2-3,6,8,10,12,15H,4-5,7,9,11,18H2,1H3,(H,19,20).
What are the key properties of [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine?
[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine has a molecular weight of 285.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine is sourced from PubChem (CID 62245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).