N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine

C11H20N2 — CID 137413297

IUPACN-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
SMILESC/N=C1\CCCCN1/C=C/C(C)C
InChIInChI=1S/C11H20N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+,12-11+
InChIKeyUVXSEAJQBYGFGZ-RLQODHJXSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds2

About N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine

N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine (PubChem CID 137413297) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine.

Molecular Properties

Compound NameN-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
PubChem CID137413297
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
SMILESC/N=C1\CCCCN1/C=C/C(C)C
InChIInChI=1S/C11H20N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+,12-11+
InChIKeyUVXSEAJQBYGFGZ-RLQODHJXSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine?
The IUPAC name of N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine (CID 137413297) is N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine.
What is the SMILES notation for N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine?
The canonical SMILES for N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine is C/N=C1\CCCCN1/C=C/C(C)C.
What is the InChIKey of N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine?
The InChIKey is UVXSEAJQBYGFGZ-RLQODHJXSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)7-9-13-8-5-4-6-11(13)12-3/h7,9-10H,4-6,8H2,1-3H3/b9-7+,12-11+.
What are the key properties of N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine?
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine is sourced from PubChem (CID 137413297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).