5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine

C19H26N2 — CID 81230699

IUPAC5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cccc3ncccc23)C(N)C1
InChIInChI=1S/C19H26N2/c1-13-9-10-16(17(20)12-13)19(2,3)15-7-4-8-18-14(15)6-5-11-21-18/h4-8,11,13,16-17H,9-10,12,20H2,1-3H3
InChIKeyYJZYVCOBNAEALU-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.28
Rot. Bonds2

About 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine

5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 81230699) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID81230699
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cccc3ncccc23)C(N)C1
InChIInChI=1S/C19H26N2/c1-13-9-10-16(17(20)12-13)19(2,3)15-7-4-8-18-14(15)6-5-11-21-18/h4-8,11,13,16-17H,9-10,12,20H2,1-3H3
InChIKeyYJZYVCOBNAEALU-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine (CID 81230699) is 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine is CC1CCC(C(C)(C)c2cccc3ncccc23)C(N)C1.
What is the InChIKey of 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is YJZYVCOBNAEALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-9-10-16(17(20)12-13)19(2,3)15-7-4-8-18-14(15)6-5-11-21-18/h4-8,11,13,16-17H,9-10,12,20H2,1-3H3.
What are the key properties of 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine?
5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81230699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).