N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide

C11H24N2 — CID 155185003

IUPACN-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide
SMILES[H]/N=C(\C)N(CC(C)(C)CC)C(C)C
InChIInChI=1S/C11H24N2/c1-7-11(5,6)8-13(9(2)3)10(4)12/h9,12H,7-8H2,1-6H3/b12-10+
InChIKeyBYJQAFNSXVVVCO-ZRDIBKRKSA-N
MW184.33 g/mol
LogP3.13
Rot. Bonds4

About N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide

N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide (PubChem CID 155185003) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide
PubChem CID155185003
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide
SMILES[H]/N=C(\C)N(CC(C)(C)CC)C(C)C
InChIInChI=1S/C11H24N2/c1-7-11(5,6)8-13(9(2)3)10(4)12/h9,12H,7-8H2,1-6H3/b12-10+
InChIKeyBYJQAFNSXVVVCO-ZRDIBKRKSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide?
The IUPAC name of N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide (CID 155185003) is N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide is [H]/N=C(\C)N(CC(C)(C)CC)C(C)C.
What is the InChIKey of N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide?
The InChIKey is BYJQAFNSXVVVCO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-11(5,6)8-13(9(2)3)10(4)12/h9,12H,7-8H2,1-6H3/b12-10+.
What are the key properties of N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide?
N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-N-propan-2-ylethanimidamide is sourced from PubChem (CID 155185003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).