N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

C11H17N3 — CID 95732568

IUPACN,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCN(C)c1ccc([C@@H]2CCCN2)cn1
InChIInChI=1S/C11H17N3/c1-14(2)11-6-5-9(8-13-11)10-4-3-7-12-10/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyDJIZANNSKWFFAR-JTQLQIEISA-N
MW191.28 g/mol
LogP1.57
Rot. Bonds2

About N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 95732568) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
PubChem CID95732568
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCN(C)c1ccc([C@@H]2CCCN2)cn1
InChIInChI=1S/C11H17N3/c1-14(2)11-6-5-9(8-13-11)10-4-3-7-12-10/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyDJIZANNSKWFFAR-JTQLQIEISA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (CID 95732568) is N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is CN(C)c1ccc([C@@H]2CCCN2)cn1.
What is the InChIKey of N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is DJIZANNSKWFFAR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c1-14(2)11-6-5-9(8-13-11)10-4-3-7-12-10/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 95732568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).