N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide

C9H18N2 — CID 152809371

IUPACN',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N/C(=N\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11-8(10-6)9(3,4)5/h1H2,2-6H3,(H,10,11)
InChIKeySQFTZFFWOGTSHQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds1

About N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide

N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide (PubChem CID 152809371) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide
PubChem CID152809371
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N/C(=N\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11-8(10-6)9(3,4)5/h1H2,2-6H3,(H,10,11)
InChIKeySQFTZFFWOGTSHQ-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
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,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
CID 123700075
2-Tert-butyl-5-methylidene-1,4-dihydroimidazole
CID 124177560
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
CID 126547303
N'-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethylpropanimidamide
CID 132104695
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588
N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
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

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The IUPAC name of N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide (CID 152809371) is N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide is C=C(C)N/C(=N\C)C(C)(C)C.
What is the InChIKey of N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The InChIKey is SQFTZFFWOGTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-8(10-6)9(3,4)5/h1H2,2-6H3,(H,10,11).
What are the key properties of N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 152809371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).