N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide

C11H20N2 — CID 138655543

IUPACN'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide
SMILESCCC/C=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-8-10(4)13-11(5)12-9(2)3/h8H,6-7H2,1-5H3/b10-8+,13-11+
InChIKeyOQGOCHQFLJSGTH-HATNNVTISA-N
MW180.29 g/mol
LogP3.59
Rot. Bonds3

About N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide

N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide (PubChem CID 138655543) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide
PubChem CID138655543
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide
SMILESCCC/C=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-8-10(4)13-11(5)12-9(2)3/h8H,6-7H2,1-5H3/b10-8+,13-11+
InChIKeyOQGOCHQFLJSGTH-HATNNVTISA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.59
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'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide (CID 138655543) is N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide is CCC/C=C(C)/N=C(\C)N=C(C)C.
What is the InChIKey of N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide?
The InChIKey is OQGOCHQFLJSGTH-HATNNVTISA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-8-10(4)13-11(5)12-9(2)3/h8H,6-7H2,1-5H3/b10-8+,13-11+.
What are the key properties of N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide?
N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 138655543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).