N-benzyl-N-ethyl-2-methylpropanimidamide

C13H20N2 — CID 63175573

IUPACN-benzyl-N-ethyl-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-4-15(13(14)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3/b14-13+
InChIKeyITXNDANTDGMWJZ-BUHFOSPRSA-N
MW204.32 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-N-ethyl-2-methylpropanimidamide

N-benzyl-N-ethyl-2-methylpropanimidamide (PubChem CID 63175573) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methylpropanimidamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methylpropanimidamide
PubChem CID63175573
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-benzyl-N-ethyl-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-4-15(13(14)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3/b14-13+
InChIKeyITXNDANTDGMWJZ-BUHFOSPRSA-N
XLogP3.14
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methylpropanimidamide?
The IUPAC name of N-benzyl-N-ethyl-2-methylpropanimidamide (CID 63175573) is N-benzyl-N-ethyl-2-methylpropanimidamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methylpropanimidamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methylpropanimidamide is [H]/N=C(\C(C)C)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-methylpropanimidamide?
The InChIKey is ITXNDANTDGMWJZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15(13(14)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3/b14-13+.
What are the key properties of N-benzyl-N-ethyl-2-methylpropanimidamide?
N-benzyl-N-ethyl-2-methylpropanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methylpropanimidamide is sourced from PubChem (CID 63175573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).