[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine

C15H24N2O2 — CID 55072059

IUPAC[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine
SMILESCc1oc(CN2CCOC3CCCCC32)cc1CN
InChIInChI=1S/C15H24N2O2/c1-11-12(9-16)8-13(19-11)10-17-6-7-18-15-5-3-2-4-14(15)17/h8,14-15H,2-7,9-10,16H2,1H3
InChIKeyNLYNRUUFKMTBMV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds3

About [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine

[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine (PubChem CID 55072059) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine
PubChem CID55072059
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine
SMILESCc1oc(CN2CCOC3CCCCC32)cc1CN
InChIInChI=1S/C15H24N2O2/c1-11-12(9-16)8-13(19-11)10-17-6-7-18-15-5-3-2-4-14(15)17/h8,14-15H,2-7,9-10,16H2,1H3
InChIKeyNLYNRUUFKMTBMV-UHFFFAOYSA-N
XLogP2.19
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine with MolForge

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Related Compounds

[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62446909
[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylphenyl]methanamine
CID 114478734
[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-fluorophenyl]methanamine
CID 107113319
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2,6-dichloroaniline
CID 82833402
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-chloroaniline
CID 63745414
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259530
(4aS,8aR)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94436032
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62446726

Frequently Asked Questions

What is the IUPAC name of [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine (CID 55072059) is [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine is Cc1oc(CN2CCOC3CCCCC32)cc1CN.
What is the InChIKey of [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine?
The InChIKey is NLYNRUUFKMTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-12(9-16)8-13(19-11)10-17-6-7-18-15-5-3-2-4-14(15)17/h8,14-15H,2-7,9-10,16H2,1H3.
What are the key properties of [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine?
[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 55072059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).