2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide

C12H26N2 — CID 63924978

IUPAC2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide
SMILESCC(C)CCC(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-9(2)7-8-10(3)14-11(13)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14)
InChIKeySVDSBNMCSVFNBJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.21
Rot. Bonds4

About 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide

2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide (PubChem CID 63924978) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide
PubChem CID63924978
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide
SMILESCC(C)CCC(C)/N=C(\N)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-9(2)7-8-10(3)14-11(13)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14)
InChIKeySVDSBNMCSVFNBJ-UHFFFAOYSA-N
XLogP3.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.21
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 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide (CID 63924978) is 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide is CC(C)CCC(C)/N=C(\N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide?
The InChIKey is SVDSBNMCSVFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)7-8-10(3)14-11(13)12(4,5)6/h9-10H,7-8H2,1-6H3,(H2,13,14).
What are the key properties of 2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide?
2,2-dimethyl-N'-(5-methylhexan-2-yl)propanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.21, 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'-(5-methylhexan-2-yl)propanimidamide is sourced from PubChem (CID 63924978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).