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

C18H24N2O — CID 65118181

IUPAC4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2ccnc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-17(2)8-10-18(21,11-9-17)13-20-16-7-12-19-15-6-4-3-5-14(15)16/h3-7,12,21H,8-11,13H2,1-2H3,(H,19,20)
InChIKeyDRSRHSMTMJWIBD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.98
Rot. Bonds3

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

4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65118181) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID65118181
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2ccnc3ccccc23)CC1
InChIInChI=1S/C18H24N2O/c1-17(2)8-10-18(21,11-9-17)13-20-16-7-12-19-15-6-4-3-5-14(15)16/h3-7,12,21H,8-11,13H2,1-2H3,(H,19,20)
InChIKeyDRSRHSMTMJWIBD-UHFFFAOYSA-N
XLogP3.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol (CID 65118181) is 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNc2ccnc3ccccc23)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is DRSRHSMTMJWIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-17(2)8-10-18(21,11-9-17)13-20-16-7-12-19-15-6-4-3-5-14(15)16/h3-7,12,21H,8-11,13H2,1-2H3,(H,19,20).
What are the key properties of 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).