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

C17H24N2O — CID 116517715

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
SMILESNC(C1CN2CCCC2CO1)C1CC1c1ccccc1
InChIInChI=1S/C17H24N2O/c18-17(15-9-14(15)12-5-2-1-3-6-12)16-10-19-8-4-7-13(19)11-20-16/h1-3,5-6,13-17H,4,7-11,18H2
InChIKeySYWXGYYDIBLKNB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.98
Rot. Bonds3

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine (PubChem CID 116517715) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
PubChem CID116517715
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
SMILESNC(C1CN2CCCC2CO1)C1CC1c1ccccc1
InChIInChI=1S/C17H24N2O/c18-17(15-9-14(15)12-5-2-1-3-6-12)16-10-19-8-4-7-13(19)11-20-16/h1-3,5-6,13-17H,4,7-11,18H2
InChIKeySYWXGYYDIBLKNB-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylcyclopropyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 116517749
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
CID 105244973
(1S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propan-1-amine
CID 104932294
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79740055
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-phenylbutyl]hydrazine
CID 105244974
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanamine
CID 83182354
2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 167120047
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(1-benzofuran-2-yl)methyl]hydrazine
CID 105245205
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(thiophen-3-yl)methanamine
CID 79088210
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol
CID 79094362

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine (CID 116517715) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine is NC(C1CN2CCCC2CO1)C1CC1c1ccccc1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine?
The InChIKey is SYWXGYYDIBLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-17(15-9-14(15)12-5-2-1-3-6-12)16-10-19-8-4-7-13(19)11-20-16/h1-3,5-6,13-17H,4,7-11,18H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine has a molecular weight of 272.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).