3-(cyclopropylmethoxy)-2-methylpropanimidamide

C8H16N2O — CID 43368806

IUPAC3-(cyclopropylmethoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COCC1CC1
InChIInChI=1S/C8H16N2O/c1-6(8(9)10)4-11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H3,9,10)
InChIKeyPRKCTGYNUIFLCC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.99
Rot. Bonds5

About 3-(cyclopropylmethoxy)-2-methylpropanimidamide

3-(cyclopropylmethoxy)-2-methylpropanimidamide (PubChem CID 43368806) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-2-methylpropanimidamide
PubChem CID43368806
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(cyclopropylmethoxy)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)COCC1CC1
InChIInChI=1S/C8H16N2O/c1-6(8(9)10)4-11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H3,9,10)
InChIKeyPRKCTGYNUIFLCC-UHFFFAOYSA-N
XLogP0.99
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
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 3-(cyclopropylmethoxy)-2-methylpropanimidamide?
The IUPAC name of 3-(cyclopropylmethoxy)-2-methylpropanimidamide (CID 43368806) is 3-(cyclopropylmethoxy)-2-methylpropanimidamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-2-methylpropanimidamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-2-methylpropanimidamide is [H]/N=C(\N)C(C)COCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-2-methylpropanimidamide?
The InChIKey is PRKCTGYNUIFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(8(9)10)4-11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H3,9,10).
What are the key properties of 3-(cyclopropylmethoxy)-2-methylpropanimidamide?
3-(cyclopropylmethoxy)-2-methylpropanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-2-methylpropanimidamide is sourced from PubChem (CID 43368806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).