3-[3,3-dimethylbutyl(methyl)amino]propanimidamide

C10H23N3 — CID 61481318

IUPAC3-[3,3-dimethylbutyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)6-8-13(4)7-5-9(11)12/h5-8H2,1-4H3,(H3,11,12)
InChIKeyLCNXVSBYPIYSPG-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.68
Rot. Bonds5

About 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide

3-[3,3-dimethylbutyl(methyl)amino]propanimidamide (PubChem CID 61481318) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[3,3-dimethylbutyl(methyl)amino]propanimidamide
PubChem CID61481318
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-[3,3-dimethylbutyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)6-8-13(4)7-5-9(11)12/h5-8H2,1-4H3,(H3,11,12)
InChIKeyLCNXVSBYPIYSPG-UHFFFAOYSA-N
XLogP1.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.68
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-[3,3-dimethylbutyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide (CID 61481318) is 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCC(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide?
The InChIKey is LCNXVSBYPIYSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(2,3)6-8-13(4)7-5-9(11)12/h5-8H2,1-4H3,(H3,11,12).
What are the key properties of 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide?
3-[3,3-dimethylbutyl(methyl)amino]propanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutyl(methyl)amino]propanimidamide is sourced from PubChem (CID 61481318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).