N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide

C11H24N2 — CID 123971505

IUPACN'-(2,4,4-trimethylhexan-2-yl)ethanimidamide
SMILESCCC(C)(C)CC(C)(C)/N=C(\C)N
InChIInChI=1S/C11H24N2/c1-7-10(3,4)8-11(5,6)13-9(2)12/h7-8H2,1-6H3,(H2,12,13)
InChIKeyJOEKFRTYSWHSTN-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.97
Rot. Bonds4

About N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide

N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide (PubChem CID 123971505) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,4,4-trimethylhexan-2-yl)ethanimidamide
PubChem CID123971505
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(2,4,4-trimethylhexan-2-yl)ethanimidamide
SMILESCCC(C)(C)CC(C)(C)/N=C(\C)N
InChIInChI=1S/C11H24N2/c1-7-10(3,4)8-11(5,6)13-9(2)12/h7-8H2,1-6H3,(H2,12,13)
InChIKeyJOEKFRTYSWHSTN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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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Related Compounds

ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
3,3-dimethylpentane;ethane;methanol
CID 144527462
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
2-fluoro-2,4,4-trimethylhexane
CID 155702638
N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide
CID 127002470
2,2,4,4-tetramethylhexanimidamide
CID 123171886
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide
CID 155177418
2,4-dimethyl-4-(2,4,4-trimethylhexan-2-yldisulfanyl)pentan-2-amine
CID 171508665

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide?
The IUPAC name of N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide (CID 123971505) is N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide.
What is the SMILES notation for N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide?
The canonical SMILES for N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide is CCC(C)(C)CC(C)(C)/N=C(\C)N.
What is the InChIKey of N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide?
The InChIKey is JOEKFRTYSWHSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-10(3,4)8-11(5,6)13-9(2)12/h7-8H2,1-6H3,(H2,12,13).
What are the key properties of N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide?
N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide is sourced from PubChem (CID 123971505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).