N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide

C11H20N2 — CID 134595250

IUPACN-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C(\C)C(C)(C)C
InChIInChI=1S/C11H20N2/c1-8(2)12-10(4)13-9(3)11(5,6)7/h1H2,2-7H3/b12-10+,13-9+
InChIKeySNBPSPBZIYXXPA-DSEBWEOJSA-N
MW180.29 g/mol
LogP3.45
Rot. Bonds1

About N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide

N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide (PubChem CID 134595250) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide
PubChem CID134595250
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C(\C)C(C)(C)C
InChIInChI=1S/C11H20N2/c1-8(2)12-10(4)13-9(3)11(5,6)7/h1H2,2-7H3/b12-10+,13-9+
InChIKeySNBPSPBZIYXXPA-DSEBWEOJSA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide (CID 134595250) is N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(C)/N=C(\C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is SNBPSPBZIYXXPA-DSEBWEOJSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)12-10(4)13-9(3)11(5,6)7/h1H2,2-7H3/b12-10+,13-9+.
What are the key properties of N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide?
N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 134595250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).