1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine

C12H20N2O — CID 142345329

IUPAC1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine
SMILESCC1=CN(C)CC(NC2CCOCC2)=C1
InChIInChI=1S/C12H20N2O/c1-10-7-12(9-14(2)8-10)13-11-3-5-15-6-4-11/h7-8,11,13H,3-6,9H2,1-2H3
InChIKeyQJBBSFISBGWNIV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.49
Rot. Bonds2

About 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine

1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine (PubChem CID 142345329) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine
PubChem CID142345329
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine
SMILESCC1=CN(C)CC(NC2CCOCC2)=C1
InChIInChI=1S/C12H20N2O/c1-10-7-12(9-14(2)8-10)13-11-3-5-15-6-4-11/h7-8,11,13H,3-6,9H2,1-2H3
InChIKeyQJBBSFISBGWNIV-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(oxan-4-yl)prop-1-ene-1,3-diamine
CID 118549012
N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine
CID 126546063
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
CID 142345300
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine;ethane
CID 142345328
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
CID 142345364
1,5-dimethyl-N-(2-morpholin-4-ylethyl)-2H-pyridin-3-amine;ethane
CID 142345398
2-methyl-2-N-(oxan-4-yl)-1H-pyridine-2,5-diamine
CID 153958340
N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)oxan-4-amine
CID 167456511
(1E,4Z)-6-methyl-1-N-(oxan-4-yl)hepta-1,4,6-triene-1,4-diamine
CID 170054399
5-Methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
CID 3306152
N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-4-amine
CID 86341860

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine (CID 142345329) is 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine is CC1=CN(C)CC(NC2CCOCC2)=C1.
What is the InChIKey of 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine?
The InChIKey is QJBBSFISBGWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-7-12(9-14(2)8-10)13-11-3-5-15-6-4-11/h7-8,11,13H,3-6,9H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine?
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine is sourced from PubChem (CID 142345329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).