4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol

C17H22N2O — CID 65118648

IUPAC4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H22N2O/c1-13-8-10-17(20,11-9-13)12-18-16-7-6-14-4-2-3-5-15(14)19-16/h2-7,13,20H,8-12H2,1H3,(H,18,19)
InChIKeyHSCJOGWZWYBWRO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65118648) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID65118648
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H22N2O/c1-13-8-10-17(20,11-9-13)12-18-16-7-6-14-4-2-3-5-15(14)19-16/h2-7,13,20H,8-12H2,1H3,(H,18,19)
InChIKeyHSCJOGWZWYBWRO-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol (CID 65118648) is 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ccc3ccccc3n2)CC1.
What is the InChIKey of 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is HSCJOGWZWYBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-8-10-17(20,11-9-13)12-18-16-7-6-14-4-2-3-5-15(14)19-16/h2-7,13,20H,8-12H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(quinolin-2-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-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).