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

C14H22N2O2 — CID 55072456

IUPAC1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCOC2CCCC21
InChIInChI=1S/C14H22N2O2/c1-15-9-14-11(5-7-17-14)10-16-6-8-18-13-4-2-3-12(13)16/h5,7,12-13,15H,2-4,6,8-10H2,1H3
InChIKeyANAMPDMPPXGPIN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds4

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

1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 55072456) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
PubChem CID55072456
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCOC2CCCC21
InChIInChI=1S/C14H22N2O2/c1-15-9-14-11(5-7-17-14)10-16-6-8-18-13-4-2-3-12(13)16/h5,7,12-13,15H,2-4,6,8-10H2,1H3
InChIKeyANAMPDMPPXGPIN-UHFFFAOYSA-N
XLogP1.75
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62422863
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62439336
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 82753136
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62420012
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-methyl-6-nitroaniline
CID 107350983
N-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-3-bromophenyl]methyl]ethanamine
CID 102770301

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine (CID 55072456) is 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1CN1CCOC2CCCC21.
What is the InChIKey of 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is ANAMPDMPPXGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-9-14-11(5-7-17-14)10-16-6-8-18-13-4-2-3-12(13)16/h5,7,12-13,15H,2-4,6,8-10H2,1H3.
What are the key properties of 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine?
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55072456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).