3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide

C9H19N3 — CID 60984082

IUPAC3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CC1
InChIInChI=1S/C9H19N3/c1-7(9(10)11)5-12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyJALWHEJMOREDSO-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.90
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide

3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 60984082) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID60984082
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CC1
InChIInChI=1S/C9H19N3/c1-7(9(10)11)5-12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyJALWHEJMOREDSO-UHFFFAOYSA-N
XLogP0.90
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.90
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-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide (CID 60984082) is 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is JALWHEJMOREDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(9(10)11)5-12(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide?
3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 169.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 60984082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).