1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine

C14H27N3O — CID 79071420

IUPAC1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CN3CCCC3CO2)C1
InChIInChI=1S/C14H27N3O/c1-15-7-12-4-6-16(8-12)9-14-10-17-5-2-3-13(17)11-18-14/h12-15H,2-11H2,1H3
InChIKeyUFSWPYBNPDLFPB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds4

About 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 79071420) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID79071420
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC2CN3CCCC3CO2)C1
InChIInChI=1S/C14H27N3O/c1-15-7-12-4-6-16(8-12)9-14-10-17-5-2-3-13(17)11-18-14/h12-15H,2-11H2,1H3
InChIKeyUFSWPYBNPDLFPB-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79071917
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 79072123
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
3-[(3-methylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79072001
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(methylamino)pyrrolidin-2-one
CID 79071121
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
(3R)-3-(chloromethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 138550760
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
CID 142750888
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-cyclopropylethanamine
CID 79083145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 79071420) is 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CC2CN3CCCC3CO2)C1.
What is the InChIKey of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is UFSWPYBNPDLFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-7-12-4-6-16(8-12)9-14-10-17-5-2-3-13(17)11-18-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79071420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).