N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine

C18H34N2O — CID 62258681

IUPACN-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CCOC3CCCCC32)CCCCC1
InChIInChI=1S/C18H34N2O/c1-2-19-14-18(10-6-3-7-11-18)15-20-12-13-21-17-9-5-4-8-16(17)20/h16-17,19H,2-15H2,1H3
InChIKeyJPZGOKQGDYTEEN-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds5

About N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine

N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine (PubChem CID 62258681) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
PubChem CID62258681
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CCOC3CCCCC32)CCCCC1
InChIInChI=1S/C18H34N2O/c1-2-19-14-18(10-6-3-7-11-18)15-20-12-13-21-17-9-5-4-8-16(17)20/h16-17,19H,2-15H2,1H3
InChIKeyJPZGOKQGDYTEEN-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62259362
N-[[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740873
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 62260424
N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
CID 82751479
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 62392564
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 62258848
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanol
CID 55241861
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine
CID 55243016

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine (CID 62258681) is N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine is CCNCC1(CN2CCOC3CCCCC32)CCCCC1.
What is the InChIKey of N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is JPZGOKQGDYTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-19-14-18(10-6-3-7-11-18)15-20-12-13-21-17-9-5-4-8-16(17)20/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine?
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62258681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).