2,2-dimethyl-N'-(4-methylpentyl)propanimidamide

C11H24N2 — CID 63181262

IUPAC2,2-dimethyl-N'-(4-methylpentyl)propanimidamide
SMILESCC(C)CCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-9(2)7-6-8-13-10(12)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13)
InChIKeyRQNINSXXLQAFGT-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.83
Rot. Bonds4

About 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide

2,2-dimethyl-N'-(4-methylpentyl)propanimidamide (PubChem CID 63181262) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(4-methylpentyl)propanimidamide
PubChem CID63181262
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2,2-dimethyl-N'-(4-methylpentyl)propanimidamide
SMILESCC(C)CCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-9(2)7-6-8-13-10(12)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13)
InChIKeyRQNINSXXLQAFGT-UHFFFAOYSA-N
XLogP2.83
TPSA38.38 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide (CID 63181262) is 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide is CC(C)CCC/N=C(\N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide?
The InChIKey is RQNINSXXLQAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)7-6-8-13-10(12)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide?
2,2-dimethyl-N'-(4-methylpentyl)propanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(4-methylpentyl)propanimidamide is sourced from PubChem (CID 63181262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).