4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol

C17H22N2O — CID 65118652

IUPAC4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccnc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-13-6-9-17(20,10-7-13)12-19-16-8-11-18-15-5-3-2-4-14(15)16/h2-5,8,11,13,20H,6-7,9-10,12H2,1H3,(H,18,19)
InChIKeyYROUXDXVGTUPMX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65118652) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID65118652
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccnc3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-13-6-9-17(20,10-7-13)12-19-16-8-11-18-15-5-3-2-4-14(15)16/h2-5,8,11,13,20H,6-7,9-10,12H2,1H3,(H,18,19)
InChIKeyYROUXDXVGTUPMX-UHFFFAOYSA-N
XLogP3.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
1-[(cinnolin-4-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65118174
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine
CID 177002729
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118648
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
CID 62979742

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol (CID 65118652) is 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ccnc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is YROUXDXVGTUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-6-9-17(20,10-7-13)12-19-16-8-11-18-15-5-3-2-4-14(15)16/h2-5,8,11,13,20H,6-7,9-10,12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).