2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide

C11H22N2 — CID 123700075

IUPAC2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N/C(=N/C(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h9H,1H2,2-7H3,(H,12,13)
InChIKeyBOORMJIPXQCAFH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.96
Rot. Bonds2

About 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide

2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide (PubChem CID 123700075) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
PubChem CID123700075
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N/C(=N/C(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h9H,1H2,2-7H3,(H,12,13)
InChIKeyBOORMJIPXQCAFH-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.96
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

N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
2-Tert-butyl-5-methylidene-1,4-dihydroimidazole
CID 124177560
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
CID 126547303
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588
N'-methyl-N-prop-1-en-2-ylbutanimidamide
CID 143370921
N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 144723066
N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide
CID 146358818
N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide
CID 152809371
N',2,3-trimethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 154993324
N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide
CID 155462481

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide (CID 123700075) is 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide is C=C(C)N/C(=N/C(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The InChIKey is BOORMJIPXQCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)12-10(11(5,6)7)13-9(3)4/h9H,1H2,2-7H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 123700075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).