1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C16H30N2O — CID 79089042

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCCC(C)C1)C1CN2CCCC2CO1
InChIInChI=1S/C16H30N2O/c1-12-5-3-6-13(9-12)16(17-2)15-10-18-8-4-7-14(18)11-19-15/h12-17H,3-11H2,1-2H3
InChIKeyCIDZBHZTJJVKAC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 79089042) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID79089042
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCCC(C)C1)C1CN2CCCC2CO1
InChIInChI=1S/C16H30N2O/c1-12-5-3-6-13(9-12)16(17-2)15-10-18-8-4-7-14(18)11-19-15/h12-17H,3-11H2,1-2H3
InChIKeyCIDZBHZTJJVKAC-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine with MolForge

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Related Compounds

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclobutyl)methyl]hydrazine
CID 105245164
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methylpropan-1-amine
CID 79089229
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopropyl)methyl]propan-1-amine
CID 79088426
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-ethoxy-N-methylethanamine
CID 79569533
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethyl]hydrazine
CID 105245107
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N,3-dimethylbut-3-en-1-amine
CID 79186551
(1S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propan-1-amine
CID 104932294
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 79088499
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79569697

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 79089042) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(C1CCCC(C)C1)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is CIDZBHZTJJVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-5-3-6-13(9-12)16(17-2)15-10-18-8-4-7-14(18)11-19-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 79089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).