2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide

C10H21N3O — CID 82739225

IUPAC2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCOC1C
InChIInChI=1S/C10H21N3O/c1-7(10(11)12)6-13(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyCAJNSPWCVPOIKI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds4

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

2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide (PubChem CID 82739225) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
PubChem CID82739225
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCOC1C
InChIInChI=1S/C10H21N3O/c1-7(10(11)12)6-13(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyCAJNSPWCVPOIKI-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide (CID 82739225) is 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)C1CCOC1C.
What is the InChIKey of 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide?
The InChIKey is CAJNSPWCVPOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(10(11)12)6-13(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide?
2-methyl-3-[methyl-(2-methyloxolan-3-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-(2-methyloxolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 82739225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).