cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine

C11H17N3 — CID 159909589

IUPACcis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
SMILESCc1ccc(N[C@H]2CCC[C@H]2N)nc1
InChIInChI=1S/C11H17N3/c1-8-5-6-11(13-7-8)14-10-4-2-3-9(10)12/h5-7,9-10H,2-4,12H2,1H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyNWZYMCMCFSTXLP-ZJUUUORDSA-N
MW191.28 g/mol
LogP1.68
Rot. Bonds2

About cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine

cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine (PubChem CID 159909589) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
PubChem CID159909589
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Namecis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
SMILESCc1ccc(N[C@H]2CCC[C@H]2N)nc1
InChIInChI=1S/C11H17N3/c1-8-5-6-11(13-7-8)14-10-4-2-3-9(10)12/h5-7,9-10H,2-4,12H2,1H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyNWZYMCMCFSTXLP-ZJUUUORDSA-N
XLogP1.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine (CID 159909589) is cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine is Cc1ccc(N[C@H]2CCC[C@H]2N)nc1.
What is the InChIKey of cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine?
The InChIKey is NWZYMCMCFSTXLP-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-5-6-11(13-7-8)14-10-4-2-3-9(10)12/h5-7,9-10H,2-4,12H2,1H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine?
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 159909589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).