2-[methyl(2-methylbutan-2-yl)amino]butanimidamide

C10H23N3 — CID 63981285

IUPAC2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)C(C)(C)CC
InChIInChI=1S/C10H23N3/c1-6-8(9(11)12)13(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H3,11,12)
InChIKeyQKHKOELEZAJIAU-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.82
Rot. Bonds5

About 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide

2-[methyl(2-methylbutan-2-yl)amino]butanimidamide (PubChem CID 63981285) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
PubChem CID63981285
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)C(C)(C)CC
InChIInChI=1S/C10H23N3/c1-6-8(9(11)12)13(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H3,11,12)
InChIKeyQKHKOELEZAJIAU-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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(2-methylbutan-2-yl)amino]butanimidamide?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide (CID 63981285) is 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide is [H]/N=C(\N)C(CC)N(C)C(C)(C)CC.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide?
The InChIKey is QKHKOELEZAJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-8(9(11)12)13(5)10(3,4)7-2/h8H,6-7H2,1-5H3,(H3,11,12).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide?
2-[methyl(2-methylbutan-2-yl)amino]butanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]butanimidamide is sourced from PubChem (CID 63981285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).