3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine

C15H28N2O2 — CID 103059310

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCOC2CCCC21
InChIInChI=1S/C15H28N2O2/c1-2-16-13-6-8-18-11-12(13)10-17-7-9-19-15-5-3-4-14(15)17/h12-16H,2-11H2,1H3
InChIKeyFCSXWTWTHXXVNJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.25
Rot. Bonds4

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine (PubChem CID 103059310) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
PubChem CID103059310
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN1CCOC2CCCC21
InChIInChI=1S/C15H28N2O2/c1-2-16-13-6-8-18-11-12(13)10-17-7-9-19-15-5-3-4-14(15)17/h12-16H,2-11H2,1H3
InChIKeyFCSXWTWTHXXVNJ-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethylcycloheptan-1-amine
CID 62608931
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]-N-ethylcyclopentan-1-amine
CID 79565013
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-amine
CID 66236927
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259711
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
CID 103059901
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043
N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060475
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-4-one
CID 103057804
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
(4aR,8aR)-4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124728902

Frequently Asked Questions

What is the IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine (CID 103059310) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine is CCNC1CCOCC1CN1CCOC2CCCC21.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine?
The InChIKey is FCSXWTWTHXXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-13-6-8-18-11-12(13)10-17-7-9-19-15-5-3-4-14(15)17/h12-16H,2-11H2,1H3.
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine has a molecular weight of 268.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine is sourced from PubChem (CID 103059310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).