N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide

C14H27IN2 — CID 175630574

IUPACN-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide
SMILESC=C(NC(=NC(C)(C)I)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27IN2/c1-10(12(2,3)4)16-11(13(5,6)7)17-14(8,9)15/h1H2,2-9H3,(H,16,17)
InChIKeyUFDXSBYMMQJLFR-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.75
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide

N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide (PubChem CID 175630574) has the molecular formula C14H27IN2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide
PubChem CID175630574
Molecular FormulaC14H27IN2
Molecular Weight350.29 g/mol
Exact Mass350.12
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide
SMILESC=C(NC(=NC(C)(C)I)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27IN2/c1-10(12(2,3)4)16-11(13(5,6)7)17-14(8,9)15/h1H2,2-9H3,(H,16,17)
InChIKeyUFDXSBYMMQJLFR-UHFFFAOYSA-N
XLogP4.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylpent-1-en-2-amine
CID 169262464
3,3-dimethyl-N-(methylideneamino)but-1-en-2-amine;ethane
CID 155734617
3,3-dimethylbut-1-en-2-amine
CID 15393104
N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
CID 142406278
N',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
CID 166800769
2,2-diiodo-3,3-dimethylbutane
CID 119097693
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
3,3-dimethylbut-1-en-2-ylsilane
CID 173032105
CID 173290538
CID 173290538
N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
CID 130193024

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide (CID 175630574) is N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide is C=C(NC(=NC(C)(C)I)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide?
The InChIKey is UFDXSBYMMQJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2/c1-10(12(2,3)4)16-11(13(5,6)7)17-14(8,9)15/h1H2,2-9H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide?
N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide has a molecular weight of 350.29 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-N'-(2-iodopropan-2-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 175630574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).