ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine

C13H24N2O — CID 142345300

IUPACethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
SMILESCC.CC1=CNCC(NC2CCOCC2)=C1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-6-11(8-12-7-9)13-10-2-4-14-5-3-10;1-2/h6-7,10,12-13H,2-5,8H2,1H3;1-2H3
InChIKeyNEFGOBZUXZWEBM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.17
Rot. Bonds2

About ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine

ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine (PubChem CID 142345300) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
PubChem CID142345300
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
SMILESCC.CC1=CNCC(NC2CCOCC2)=C1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-6-11(8-12-7-9)13-10-2-4-14-5-3-10;1-2/h6-7,10,12-13H,2-5,8H2,1H3;1-2H3
InChIKeyNEFGOBZUXZWEBM-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
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
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine;ethane
CID 142345328
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
N-[3-[(2-methyl-4-methylidene-3-pyridinyl)imino]but-1-en-2-yl]oxan-4-amine
CID 176541258
5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine
CID 142345301
1,5-dimethyl-N-(oxan-4-yl)-2H-pyridin-3-amine
CID 142345329
N-[(3E,5E)-5-ethyl-3-methylocta-3,5-dien-4-yl]oxan-4-amine
CID 142373684

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine?
The IUPAC name of ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine (CID 142345300) is ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine.
What is the SMILES notation for ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine?
The canonical SMILES for ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine is CC.CC1=CNCC(NC2CCOCC2)=C1.
What is the InChIKey of ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine?
The InChIKey is NEFGOBZUXZWEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-9-6-11(8-12-7-9)13-10-2-4-14-5-3-10;1-2/h6-7,10,12-13H,2-5,8H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine?
ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 142345300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).