3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine

C15H31N3O — CID 103059901

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC1CN(C)C
InChIInChI=1S/C15H31N3O/c1-4-16-15-7-9-19-12-13(15)10-18-8-5-6-14(18)11-17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyNDGRWBWCGBQZCG-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine

3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine (PubChem CID 103059901) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
PubChem CID103059901
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCCC1CN(C)C
InChIInChI=1S/C15H31N3O/c1-4-16-15-7-9-19-12-13(15)10-18-8-5-6-14(18)11-17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyNDGRWBWCGBQZCG-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
CID 103059310
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259711
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060475
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine (CID 103059901) is 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1CN1CCCC1CN(C)C.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine?
The InChIKey is NDGRWBWCGBQZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-15-7-9-19-12-13(15)10-18-8-5-6-14(18)11-17(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine?
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 103059901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).