2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine

C18H28N2 — CID 79866155

IUPAC2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1CCc2ccccc2N1CC1CCC(C)(C)C1N
InChIInChI=1S/C18H28N2/c1-13-8-9-14-6-4-5-7-16(14)20(13)12-15-10-11-18(2,3)17(15)19/h4-7,13,15,17H,8-12,19H2,1-3H3
InChIKeyVJXLYTSBKKBWRT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.59
Rot. Bonds2

About 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 79866155) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine
PubChem CID79866155
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine
SMILESCC1CCc2ccccc2N1CC1CCC(C)(C)C1N
InChIInChI=1S/C18H28N2/c1-13-8-9-14-6-4-5-7-16(14)20(13)12-15-10-11-18(2,3)17(15)19/h4-7,13,15,17H,8-12,19H2,1-3H3
InChIKeyVJXLYTSBKKBWRT-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine (CID 79866155) is 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine is CC1CCc2ccccc2N1CC1CCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is VJXLYTSBKKBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-8-9-14-6-4-5-7-16(14)20(13)12-15-10-11-18(2,3)17(15)19/h4-7,13,15,17H,8-12,19H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79866155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).