(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride

C10H22Cl2N2O — CID 154922217

IUPAC(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
SMILESCC(C)[C@H]1CN2C[C@H](N)C[C@H]2CO1.Cl.Cl
InChIInChI=1S/C10H20N2O.2ClH/c1-7(2)10-5-12-4-8(11)3-9(12)6-13-10;;/h7-10H,3-6,11H2,1-2H3;2*1H/t8-,9+,10-;;/m1../s1
InChIKeyVAQQNNYAKGAFRD-FNNANFCNSA-N
MW257.20 g/mol
LogP1.29
Rot. Bonds1

About (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride

(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride (PubChem CID 154922217) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride.

Molecular Properties

Compound Name(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
PubChem CID154922217
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
SMILESCC(C)[C@H]1CN2C[C@H](N)C[C@H]2CO1.Cl.Cl
InChIInChI=1S/C10H20N2O.2ClH/c1-7(2)10-5-12-4-8(11)3-9(12)6-13-10;;/h7-10H,3-6,11H2,1-2H3;2*1H/t8-,9+,10-;;/m1../s1
InChIKeyVAQQNNYAKGAFRD-FNNANFCNSA-N
XLogP1.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride with MolForge

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Related Compounds

(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
CID 154919965
(3S,7S,8aS)-N-(oxan-4-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155506897
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
1-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-propan-2-ylurea
CID 155918402
(3S,7R,8aS)-3-(4-chlorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
CID 154919733
6-amino-N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]pyridine-2-carboxamide
CID 155497790
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-phenylmethanesulfonamide
CID 154819842
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,6-dichlorobenzenesulfonamide
CID 154822472
1-cyclobutyl-5-propan-2-ylpiperidin-3-amine
CID 83989291
2-[5-[(1S)-1-amino-2-methylpropyl]-3-methyl-1,2,4-triazol-1-yl]-N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]acetamide;dihydrochloride
CID 163334503
1-cyclohexyl-5-propan-2-ylpiperidin-3-amine
CID 83989284
N-[(3R,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-phenylphenyl)acetamide
CID 155494870

Frequently Asked Questions

What is the IUPAC name of (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The IUPAC name of (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride (CID 154922217) is (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride.
What is the SMILES notation for (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The canonical SMILES for (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride is CC(C)[C@H]1CN2C[C@H](N)C[C@H]2CO1.Cl.Cl.
What is the InChIKey of (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The InChIKey is VAQQNNYAKGAFRD-FNNANFCNSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c1-7(2)10-5-12-4-8(11)3-9(12)6-13-10;;/h7-10H,3-6,11H2,1-2H3;2*1H/t8-,9+,10-;;/m1../s1.
What are the key properties of (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride is sourced from PubChem (CID 154922217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).