N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

C17H32N2O — CID 107448600

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CN3CCCC3CO2)C1
InChIInChI=1S/C17H32N2O/c1-13(2)14-5-3-6-15(9-14)18-10-17-11-19-8-4-7-16(19)12-20-17/h13-18H,3-12H2,1-2H3
InChIKeyBOKSJYKPWCLYSW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.65
Rot. Bonds4

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448600) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448600
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CN3CCCC3CO2)C1
InChIInChI=1S/C17H32N2O/c1-13(2)14-5-3-6-15(9-14)18-10-17-11-19-8-4-7-16(19)12-20-17/h13-18H,3-12H2,1-2H3
InChIKeyBOKSJYKPWCLYSW-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 79079442
2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 155150895
2-Tert-butyl-1-(2-cyclohexyloxyethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
CID 156675290
2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177200608
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-5-ethyl-2-methylmorpholine
CID 61424499
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
2-(aminomethyl)-N,5-diethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433939
2-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61433940
2-[(3-propoxypiperidin-1-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 61572302
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-ethylcyclohexyl]methanamine
CID 61663354
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-propylcyclohexyl]methanamine
CID 61663402
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-tert-butylcyclohexyl]methanamine
CID 61663449

Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (CID 107448600) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCC2CN3CCCC3CO2)C1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is BOKSJYKPWCLYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)14-5-3-6-15(9-14)18-10-17-11-19-8-4-7-16(19)12-20-17/h13-18H,3-12H2,1-2H3.
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).