6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine

C9H18N2O — CID 163805361

IUPAC6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCCC1OC(CN)=CCC1NC
InChIInChI=1S/C9H18N2O/c1-3-9-8(11-2)5-4-7(6-10)12-9/h4,8-9,11H,3,5-6,10H2,1-2H3
InChIKeyNIOJUGFLXZYEBW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.62
Rot. Bonds3

About 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine

6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine (PubChem CID 163805361) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
PubChem CID163805361
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCCC1OC(CN)=CCC1NC
InChIInChI=1S/C9H18N2O/c1-3-9-8(11-2)5-4-7(6-10)12-9/h4,8-9,11H,3,5-6,10H2,1-2H3
InChIKeyNIOJUGFLXZYEBW-UHFFFAOYSA-N
XLogP0.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R)-2,3-dimethyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 144712353
3,6-diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-amino-3,6-dihydroxy-4-methoxy-5-(methylamino)cyclohexyl]oxy-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]hexanamide
CID 10253724
sodium;(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;hydride
CID 173257820
(2R,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 94865131
(2R,3S,4R,5R)-2-[(1R,2R,3R,4S,6R)-4,6-diamino-3-[[(2R,3S)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 125463019
(2R,3S,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2R,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 162995156
5-methyl-4-(methylamino)-2-[2,4,6-triamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]oxyoxane-3,5-diol
CID 163047993
(2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2,2-difluorocyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 10255231
(4,5-diethylcyclohexen-1-yl)methanamine
CID 177194225
[(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-hydroxy-5-methyl-4-(methylamino)oxan-3-yl] dihydrogen phosphate
CID 91819881
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CID 172875067
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine (CID 163805361) is 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine is CCC1OC(CN)=CCC1NC.
What is the InChIKey of 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is NIOJUGFLXZYEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9-8(11-2)5-4-7(6-10)12-9/h4,8-9,11H,3,5-6,10H2,1-2H3.
What are the key properties of 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine?
6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 163805361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).