2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide

C9H21N3 — CID 43272189

IUPAC2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-12(4)6-8(3)9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyAKVMBOIFHHBBMT-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.15
Rot. Bonds5

About 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide

2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide (PubChem CID 43272189) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
PubChem CID43272189
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-12(4)6-8(3)9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyAKVMBOIFHHBBMT-UHFFFAOYSA-N
XLogP1.15
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.15
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 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide (CID 43272189) is 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)CC(C)C.
What is the InChIKey of 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
The InChIKey is AKVMBOIFHHBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)5-12(4)6-8(3)9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11).
What are the key properties of 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide?
2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 43272189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).