trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine

C16H20ClN3 — CID 164632344

IUPACtrans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H20ClN3/c1-20(2)14-8-4-7-13(14)18-15-10-9-11-5-3-6-12(17)16(11)19-15/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyUPIFDOVGKXOJDX-KBPBESRZSA-N
MW289.81 g/mol
LogP3.78
Rot. Bonds3

About trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine

trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine (PubChem CID 164632344) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
PubChem CID164632344
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Nametrans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H20ClN3/c1-20(2)14-8-4-7-13(14)18-15-10-9-11-5-3-6-12(17)16(11)19-15/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyUPIFDOVGKXOJDX-KBPBESRZSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine (CID 164632344) is trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine is CN(C)[C@H]1CCC[C@@H]1Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The InChIKey is UPIFDOVGKXOJDX-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(2)14-8-4-7-13(14)18-15-10-9-11-5-3-6-12(17)16(11)19-15/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine has a molecular weight of 289.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N-(8-chloroquinolin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 164632344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).