propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide

C11H22N2 — CID 143703560

IUPACpropane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N=C(C)C.CCC
InChIInChI=1S/C8H14N2.C3H8/c1-6(2)9-8(5)10-7(3)4;1-3-2/h1H2,2-5H3;3H2,1-2H3/b9-8+;
InChIKeyQIRXQBXFVLYQTQ-HRNDJLQDSA-N
MW182.31 g/mol
LogP3.84
Rot. Bonds1

About propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide

propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 143703560) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Namepropane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID143703560
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namepropane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N=C(C)C.CCC
InChIInChI=1S/C8H14N2.C3H8/c1-6(2)9-8(5)10-7(3)4;1-3-2/h1H2,2-5H3;3H2,1-2H3/b9-8+;
InChIKeyQIRXQBXFVLYQTQ-HRNDJLQDSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.84
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 propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (CID 143703560) is propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(\C)N=C(C)C.CCC.
What is the InChIKey of propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is QIRXQBXFVLYQTQ-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H14N2.C3H8/c1-6(2)9-8(5)10-7(3)4;1-3-2/h1H2,2-5H3;3H2,1-2H3/b9-8+;.
What are the key properties of propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 143703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).