2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide

C10H21N3O — CID 43611268

IUPAC2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)7-13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQEBHOKLCDQYJGP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds4

About 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide

2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide (PubChem CID 43611268) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
PubChem CID43611268
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCOCC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)7-13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyQEBHOKLCDQYJGP-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103370592
2-Methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542194
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611243
2-[Methyl(oxan-4-yl)amino]ethanimidamide
CID 43611260
3-[Methyl(oxan-4-yl)amino]propanimidamide
CID 43611262
4-[Methyl(oxan-4-yl)amino]butanimidamide
CID 43611263
3-[Methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
3-(3-Ethylmorpholin-4-yl)-2-methylpropanimidamide
CID 43613280
3-[Methyl(oxan-4-yl)amino]butanimidamide
CID 60914349
5-[Methyl(oxan-4-yl)amino]pentanimidamide
CID 61524349
2-[Methyl(oxan-4-yl)amino]propanimidamide
CID 61692216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide (CID 43611268) is 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)C1CCOCC1.
What is the InChIKey of 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
The InChIKey is QEBHOKLCDQYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(11)12)7-13(2)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide?
2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide is sourced from PubChem (CID 43611268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).