N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide

C11H22N2 — CID 154967755

IUPACN'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide
SMILESC=CN(/C(C)=N/C(C)CC)C(C)C
InChIInChI=1S/C11H22N2/c1-7-10(5)12-11(6)13(8-2)9(3)4/h8-10H,2,7H2,1,3-6H3/b12-11+
InChIKeyOEWHYDKSBVQRPM-VAWYXSNFSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds4

About N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide

N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide (PubChem CID 154967755) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide
PubChem CID154967755
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide
SMILESC=CN(/C(C)=N/C(C)CC)C(C)C
InChIInChI=1S/C11H22N2/c1-7-10(5)12-11(6)13(8-2)9(3)4/h8-10H,2,7H2,1,3-6H3/b12-11+
InChIKeyOEWHYDKSBVQRPM-VAWYXSNFSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.06
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'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide?
The IUPAC name of N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide (CID 154967755) is N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide is C=CN(/C(C)=N/C(C)CC)C(C)C.
What is the InChIKey of N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide?
The InChIKey is OEWHYDKSBVQRPM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-10(5)12-11(6)13(8-2)9(3)4/h8-10H,2,7H2,1,3-6H3/b12-11+.
What are the key properties of N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide?
N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-ethenyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 154967755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).