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

C9H18N2 — CID 123338851

IUPACN,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N(C)/C(=N/C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(10-5)11(6)8(3)4/h7H,3H2,1-2,4-6H3/b10-9+
InChIKeyDFQIFLTZNFOKOC-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.14
Rot. Bonds2

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

N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide (PubChem CID 123338851) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound NameN,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
PubChem CID123338851
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
SMILESC=C(C)N(C)/C(=N/C)C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)9(10-5)11(6)8(3)4/h7H,3H2,1-2,4-6H3/b10-9+
InChIKeyDFQIFLTZNFOKOC-MDZDMXLPSA-N
XLogP2.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
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-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
CID 121313174
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
CID 123520006
N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
CID 123623563
Ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
CID 123639028
N,N'-dimethyl-N-prop-1-en-2-ylethanimidamide
CID 125510032
N'-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbut-1-en-2-ylimino)-N-propylpropanimidamide
CID 130439420
N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 137495867
ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide
CID 142369069

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The IUPAC name of N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide (CID 123338851) is N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide is C=C(C)N(C)/C(=N/C)C(C)C.
What is the InChIKey of N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
The InChIKey is DFQIFLTZNFOKOC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9(10-5)11(6)8(3)4/h7H,3H2,1-2,4-6H3/b10-9+.
What are the key properties of N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide?
N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 123338851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).