5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine

C19H26N2 — CID 60924184

IUPAC5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)11-19(17,20)16-10-15-6-4-5-7-18(15)21-12-16/h4-7,10,12-14,17H,8-9,11,20H2,1-3H3
InChIKeyZYIRXNVAOCGRCG-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.48
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine

5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine (PubChem CID 60924184) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine
PubChem CID60924184
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)11-19(17,20)16-10-15-6-4-5-7-18(15)21-12-16/h4-7,10,12-14,17H,8-9,11,20H2,1-3H3
InChIKeyZYIRXNVAOCGRCG-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine (CID 60924184) is 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2cnc3ccccc3c2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine?
The InChIKey is ZYIRXNVAOCGRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)11-19(17,20)16-10-15-6-4-5-7-18(15)21-12-16/h4-7,10,12-14,17H,8-9,11,20H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine?
5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine is sourced from PubChem (CID 60924184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).