N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine

C12H19N3O — CID 115765993

IUPACN,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1cccc(CNC2CCOC2)n1
InChIInChI=1S/C12H19N3O/c1-15(2)12-5-3-4-10(14-12)8-13-11-6-7-16-9-11/h3-5,11,13H,6-9H2,1-2H3
InChIKeyDXJUTNQULNJSSG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds4

About N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine

N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine (PubChem CID 115765993) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
PubChem CID115765993
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1cccc(CNC2CCOC2)n1
InChIInChI=1S/C12H19N3O/c1-15(2)12-5-3-4-10(14-12)8-13-11-6-7-16-9-11/h3-5,11,13H,6-9H2,1-2H3
InChIKeyDXJUTNQULNJSSG-UHFFFAOYSA-N
XLogP1.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine (CID 115765993) is N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine is CN(C)c1cccc(CNC2CCOC2)n1.
What is the InChIKey of N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine?
The InChIKey is DXJUTNQULNJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(2)12-5-3-4-10(14-12)8-13-11-6-7-16-9-11/h3-5,11,13H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine?
N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 115765993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).