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

C10H20N2 — CID 143043535

IUPACethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N=C(C)C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-6(2)9-8(5)10-7(3)4;1-2/h1H2,2-5H3;1-2H3/b9-8+;
InChIKeyNOZCLLDFWHUQGO-HRNDJLQDSA-N
MW168.28 g/mol
LogP3.45
Rot. Bonds1

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

ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 143043535) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID143043535
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(\C)N=C(C)C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-6(2)9-8(5)10-7(3)4;1-2/h1H2,2-5H3;1-2H3/b9-8+;
InChIKeyNOZCLLDFWHUQGO-HRNDJLQDSA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
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 ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (CID 143043535) is ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(\C)N=C(C)C.CC.
What is the InChIKey of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is NOZCLLDFWHUQGO-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-6(2)9-8(5)10-7(3)4;1-2/h1H2,2-5H3;1-2H3/b9-8+;.
What are the key properties of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 168.28 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 ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 143043535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).