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

C7H17N3 — CID 24706402

IUPAC3-[methyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C(C)C
InChIInChI=1S/C7H17N3/c1-6(2)10(3)5-4-7(8)9/h6H,4-5H2,1-3H3,(H3,8,9)
InChIKeyOHTIXHXNRSHNGI-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.65
Rot. Bonds4

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

3-[methyl(propan-2-yl)amino]propanimidamide (PubChem CID 24706402) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]propanimidamide
PubChem CID24706402
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name3-[methyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C(C)C
InChIInChI=1S/C7H17N3/c1-6(2)10(3)5-4-7(8)9/h6H,4-5H2,1-3H3,(H3,8,9)
InChIKeyOHTIXHXNRSHNGI-UHFFFAOYSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.65
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-[methyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of 3-[methyl(propan-2-yl)amino]propanimidamide (CID 24706402) is 3-[methyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C)C(C)C.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]propanimidamide?
The InChIKey is OHTIXHXNRSHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(2)10(3)5-4-7(8)9/h6H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 3-[methyl(propan-2-yl)amino]propanimidamide?
3-[methyl(propan-2-yl)amino]propanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 24706402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).