3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide

C9H21N3O — CID 123365452

IUPAC3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(C)(C)OC
InChIInChI=1S/C9H21N3O/c1-9(2,13-4)7-12(3)6-5-8(10)11/h5-7H2,1-4H3,(H3,10,11)
InChIKeyNQJMXJMIKHSRDT-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.67
Rot. Bonds6

About 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide

3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide (PubChem CID 123365452) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide
PubChem CID123365452
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(C)(C)OC
InChIInChI=1S/C9H21N3O/c1-9(2,13-4)7-12(3)6-5-8(10)11/h5-7H2,1-4H3,(H3,10,11)
InChIKeyNQJMXJMIKHSRDT-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
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-[2-Fluoroethyl(2-methoxyethyl)amino]propanimidamide
CID 80693770
3-[3-Fluoropropyl(2-methoxyethyl)amino]propanimidamide
CID 81106621
3-[2-Methoxyethyl(methyl)amino]propanimidamide
CID 28387377
3-[2-Ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
3-(2,2-Dimethylmorpholin-4-yl)propanimidamide
CID 43592885
4-(2,2-Dimethylmorpholin-4-yl)butanimidamide
CID 43592886
3-(2,2-Dimethylmorpholin-4-yl)-2-methylpropanimidamide
CID 43592889
3-[Ethyl-[2-(3-methylbutoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988172
3-[Bis(2-methoxyethyl)amino]propanimidamide
CID 61418679
4-[Bis(2-methoxyethyl)amino]butanimidamide
CID 61418680
3-[Bis(2-methoxyethyl)amino]-2-methylpropanimidamide
CID 61418727
4-[2-Methoxyethyl(methyl)amino]butanimidamide
CID 61427096

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide (CID 123365452) is 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)CC(C)(C)OC.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide?
The InChIKey is NQJMXJMIKHSRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,13-4)7-12(3)6-5-8(10)11/h5-7H2,1-4H3,(H3,10,11).
What are the key properties of 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide?
3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)-methylamino]propanimidamide is sourced from PubChem (CID 123365452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).