2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine

C13H21N3O — CID 113367845

IUPAC2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)CC2CCCOC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-8-12(5-6-15-13)16(2)9-11-4-3-7-17-10-11/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,14,15)
InChIKeyFARQLAPVAADUGZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine

2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine (PubChem CID 113367845) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
PubChem CID113367845
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)CC2CCCOC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-8-12(5-6-15-13)16(2)9-11-4-3-7-17-10-11/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,14,15)
InChIKeyFARQLAPVAADUGZ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
N-methyl-N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214678
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-chloro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 55225499
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
CID 113367781
3-amino-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 82812956
5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63707826

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine (CID 113367845) is 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine is CNc1cc(N(C)CC2CCCOC2)ccn1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine?
The InChIKey is FARQLAPVAADUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-13-8-12(5-6-15-13)16(2)9-11-4-3-7-17-10-11/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).