2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine

C14H22N4O — CID 79176823

IUPAC2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCC2CN3CCCC3CO2)ncc1N
InChIInChI=1S/C14H22N4O/c1-10-5-14(17-7-13(10)15)16-6-12-8-18-4-2-3-11(18)9-19-12/h5,7,11-12H,2-4,6,8-9,15H2,1H3,(H,16,17)
InChIKeyVIPOZQOKPREBPF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.25
Rot. Bonds3

About 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine

2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine (PubChem CID 79176823) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
PubChem CID79176823
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(NCC2CN3CCCC3CO2)ncc1N
InChIInChI=1S/C14H22N4O/c1-10-5-14(17-7-13(10)15)16-6-12-8-18-4-2-3-11(18)9-19-12/h5,7,11-12H,2-4,6,8-9,15H2,1H3,(H,16,17)
InChIKeyVIPOZQOKPREBPF-UHFFFAOYSA-N
XLogP1.25
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine (CID 79176823) is 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine is Cc1cc(NCC2CN3CCCC3CO2)ncc1N.
What is the InChIKey of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine?
The InChIKey is VIPOZQOKPREBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-5-14(17-7-13(10)15)16-6-12-8-18-4-2-3-11(18)9-19-12/h5,7,11-12H,2-4,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine?
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79176823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).