4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol

C18H24N2O — CID 28642233

IUPAC4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1ccnc2ccccc12)CC1CCC(O)CC1
InChIInChI=1S/C18H24N2O/c1-20(12-14-6-8-16(21)9-7-14)13-15-10-11-19-18-5-3-2-4-17(15)18/h2-5,10-11,14,16,21H,6-9,12-13H2,1H3
InChIKeyKBVIGKGJCGEBCA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.22
Rot. Bonds4

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

4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 28642233) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
PubChem CID28642233
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(Cc1ccnc2ccccc12)CC1CCC(O)CC1
InChIInChI=1S/C18H24N2O/c1-20(12-14-6-8-16(21)9-7-14)13-15-10-11-19-18-5-3-2-4-17(15)18/h2-5,10-11,14,16,21H,6-9,12-13H2,1H3
InChIKeyKBVIGKGJCGEBCA-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 42531493
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol (CID 28642233) is 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol is CN(Cc1ccnc2ccccc12)CC1CCC(O)CC1.
What is the InChIKey of 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KBVIGKGJCGEBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(12-14-6-8-16(21)9-7-14)13-15-10-11-19-18-5-3-2-4-17(15)18/h2-5,10-11,14,16,21H,6-9,12-13H2,1H3.
What are the key properties of 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 28642233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).