8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine

C18H24N2O — CID 114340628

IUPAC8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine
SMILESCC1(C)CCC(OCc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C18H24N2O/c1-18(2)9-7-14(8-10-18)21-12-13-5-6-16(19)15-4-3-11-20-17(13)15/h3-6,11,14H,7-10,12,19H2,1-2H3
InChIKeyRWDSNURPWYSPNO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.30
Rot. Bonds3

About 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine

8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine (PubChem CID 114340628) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine
PubChem CID114340628
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine
SMILESCC1(C)CCC(OCc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C18H24N2O/c1-18(2)9-7-14(8-10-18)21-12-13-5-6-16(19)15-4-3-11-20-17(13)15/h3-6,11,14H,7-10,12,19H2,1-2H3
InChIKeyRWDSNURPWYSPNO-UHFFFAOYSA-N
XLogP4.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine?
The IUPAC name of 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine (CID 114340628) is 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine.
What is the SMILES notation for 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine?
The canonical SMILES for 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine is CC1(C)CCC(OCc2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine?
The InChIKey is RWDSNURPWYSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2)9-7-14(8-10-18)21-12-13-5-6-16(19)15-4-3-11-20-17(13)15/h3-6,11,14H,7-10,12,19H2,1-2H3.
What are the key properties of 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine?
8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine has a molecular weight of 284.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,4-dimethylcyclohexyl)oxymethyl]quinolin-5-amine is sourced from PubChem (CID 114340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).