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

C18H34N2O — CID 64752539

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCOC2CCCC21
InChIInChI=1S/C18H34N2O/c1-4-8-19-15-12-13(2)11-14(3)18(15)20-9-10-21-17-7-5-6-16(17)20/h13-19H,4-12H2,1-3H3
InChIKeyGYBKFVOGUAJINM-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds4

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64752539) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64752539
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1N1CCOC2CCCC21
InChIInChI=1S/C18H34N2O/c1-4-8-19-15-12-13(2)11-14(3)18(15)20-9-10-21-17-7-5-6-16(17)20/h13-19H,4-12H2,1-3H3
InChIKeyGYBKFVOGUAJINM-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64752735
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
CID 80997581
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64734966
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758193
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpropan-1-amine
CID 55070945
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997

Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64752539) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is GYBKFVOGUAJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-8-19-15-12-13(2)11-14(3)18(15)20-9-10-21-17-7-5-6-16(17)20/h13-19H,4-12H2,1-3H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64752539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).