N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine

C13H21N3O — CID 29153314

IUPACN,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNC1CCOCC1
InChIInChI=1S/C13H21N3O/c1-16(2)13-11(4-3-7-14-13)10-15-12-5-8-17-9-6-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3
InChIKeyPQQLQFTULDOFST-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds4

About N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine

N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine (PubChem CID 29153314) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
PubChem CID29153314
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNC1CCOCC1
InChIInChI=1S/C13H21N3O/c1-16(2)13-11(4-3-7-14-13)10-15-12-5-8-17-9-6-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3
InChIKeyPQQLQFTULDOFST-UHFFFAOYSA-N
XLogP1.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850
3-[[[(4S)-2,2-dimethyloxan-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 25447986
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 62280348

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine (CID 29153314) is N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine is CN(C)c1ncccc1CNC1CCOCC1.
What is the InChIKey of N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine?
The InChIKey is PQQLQFTULDOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)13-11(4-3-7-14-13)10-15-12-5-8-17-9-6-12/h3-4,7,12,15H,5-6,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine?
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 29153314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).