N,2,2-trimethyl-N-pentan-3-ylpropanimidamide

C11H24N2 — CID 63175548

IUPACN,2,2-trimethyl-N-pentan-3-ylpropanimidamide
SMILES[H]/N=C(/N(C)C(CC)CC)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-7-9(8-2)13(6)10(12)11(3,4)5/h9,12H,7-8H2,1-6H3/b12-10+
InChIKeyNEWZHLPUDWENNK-ZRDIBKRKSA-N
MW184.33 g/mol
LogP3.13
Rot. Bonds3

About N,2,2-trimethyl-N-pentan-3-ylpropanimidamide

N,2,2-trimethyl-N-pentan-3-ylpropanimidamide (PubChem CID 63175548) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,2,2-trimethyl-N-pentan-3-ylpropanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-pentan-3-ylpropanimidamide
PubChem CID63175548
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,2,2-trimethyl-N-pentan-3-ylpropanimidamide
SMILES[H]/N=C(/N(C)C(CC)CC)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-7-9(8-2)13(6)10(12)11(3,4)5/h9,12H,7-8H2,1-6H3/b12-10+
InChIKeyNEWZHLPUDWENNK-ZRDIBKRKSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-trimethyl-N-pentan-3-ylpropanimidamide 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-trimethyl-N-pentan-3-ylpropanimidamide?
The IUPAC name of N,2,2-trimethyl-N-pentan-3-ylpropanimidamide (CID 63175548) is N,2,2-trimethyl-N-pentan-3-ylpropanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-pentan-3-ylpropanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-pentan-3-ylpropanimidamide is [H]/N=C(/N(C)C(CC)CC)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-pentan-3-ylpropanimidamide?
The InChIKey is NEWZHLPUDWENNK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-9(8-2)13(6)10(12)11(3,4)5/h9,12H,7-8H2,1-6H3/b12-10+.
What are the key properties of N,2,2-trimethyl-N-pentan-3-ylpropanimidamide?
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-pentan-3-ylpropanimidamide is sourced from PubChem (CID 63175548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).