N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide

C11H21N3 — CID 90181969

IUPACN'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)C1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9(8-13-10(2)12)11-4-6-14(3)7-5-11/h8,11H,4-7H2,1-3H3,(H2,12,13)/b9-8+
InChIKeyBOXZOXCEWWDWDA-CMDGGOBGSA-N
MW195.31 g/mol
LogP1.61
Rot. Bonds2

About N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide

N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide (PubChem CID 90181969) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide
PubChem CID90181969
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)C1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9(8-13-10(2)12)11-4-6-14(3)7-5-11/h8,11H,4-7H2,1-3H3,(H2,12,13)/b9-8+
InChIKeyBOXZOXCEWWDWDA-CMDGGOBGSA-N
XLogP1.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide (CID 90181969) is N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide is C/C(=C\N=C(/C)N)C1CCN(C)CC1.
What is the InChIKey of N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide?
The InChIKey is BOXZOXCEWWDWDA-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(8-13-10(2)12)11-4-6-14(3)7-5-11/h8,11H,4-7H2,1-3H3,(H2,12,13)/b9-8+.
What are the key properties of N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide?
N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(1-methylpiperidin-4-yl)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 90181969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).