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

C11H25N3 — CID 63225019

IUPAC3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCC(C)(C)C
InChIInChI=1S/C11H25N3/c1-9(8-10(12)13)14(5)7-6-11(2,3)4/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyPZSHBOCZFBLXKH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.07
Rot. Bonds5

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

3-[3,3-dimethylbutyl(methyl)amino]butanimidamide (PubChem CID 63225019) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
PubChem CID63225019
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCC(C)(C)C
InChIInChI=1S/C11H25N3/c1-9(8-10(12)13)14(5)7-6-11(2,3)4/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyPZSHBOCZFBLXKH-UHFFFAOYSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.07
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]butanimidamide?
The IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide (CID 63225019) is 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCC(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide?
The InChIKey is PZSHBOCZFBLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(8-10(12)13)14(5)7-6-11(2,3)4/h9H,6-8H2,1-5H3,(H3,12,13).
What are the key properties of 3-[3,3-dimethylbutyl(methyl)amino]butanimidamide?
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.07, 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]butanimidamide is sourced from PubChem (CID 63225019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).