N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide

C10H19N3O — CID 62358604

IUPACN'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
SMILESC/N=C(\N)N1CCOC2CCCCC21
InChIInChI=1S/C10H19N3O/c1-12-10(11)13-6-7-14-9-5-3-2-4-8(9)13/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyQNDPGMHKIXPWLM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.57
Rot. Bonds

About N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide

N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide (PubChem CID 62358604) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
PubChem CID62358604
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
SMILESC/N=C(\N)N1CCOC2CCCCC21
InChIInChI=1S/C10H19N3O/c1-12-10(11)13-6-7-14-9-5-3-2-4-8(9)13/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyQNDPGMHKIXPWLM-UHFFFAOYSA-N
XLogP0.57
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide?
The IUPAC name of N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide (CID 62358604) is N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide?
The canonical SMILES for N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide is C/N=C(\N)N1CCOC2CCCCC21.
What is the InChIKey of N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide?
The InChIKey is QNDPGMHKIXPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-10(11)13-6-7-14-9-5-3-2-4-8(9)13/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide?
N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide has a molecular weight of 197.28 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide is sourced from PubChem (CID 62358604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).