N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine

C11H18N2 — CID 145424920

IUPACN-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine
SMILESC=C/N=C(\C(=C)C)C1CCCCN1
InChIInChI=1S/C11H18N2/c1-4-12-11(9(2)3)10-7-5-6-8-13-10/h4,10,13H,1-2,5-8H2,3H3/b12-11+
InChIKeyBBEUHDPDLWOXQV-VAWYXSNFSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds3

About N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine

N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine (PubChem CID 145424920) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine
PubChem CID145424920
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine
SMILESC=C/N=C(\C(=C)C)C1CCCCN1
InChIInChI=1S/C11H18N2/c1-4-12-11(9(2)3)10-7-5-6-8-13-10/h4,10,13H,1-2,5-8H2,3H3/b12-11+
InChIKeyBBEUHDPDLWOXQV-VAWYXSNFSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-piperidin-2-ylprop-2-en-1-imine
CID 123359089
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
N-(2-methylprop-1-enyl)-1-piperidin-4-ylprop-2-en-1-imine
CID 143003964
ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086778
2-chloro-N-ethenyl-1-(6-propylpiperidin-2-yl)prop-2-en-1-imine
CID 145424602
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
CID 146229741
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
CID 155735826
2-propan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 169929614
(3-Ethyliminopiperidin-4-ylidene)methanamine
CID 174096877
N-ethenyl-4-methylidenepiperidin-3-imine
CID 176692186
N,2-dimethyl-3-methylidenepiperidin-4-imine
CID 176925363

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine (CID 145424920) is N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine is C=C/N=C(\C(=C)C)C1CCCCN1.
What is the InChIKey of N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine?
The InChIKey is BBEUHDPDLWOXQV-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-11(9(2)3)10-7-5-6-8-13-10/h4,10,13H,1-2,5-8H2,3H3/b12-11+.
What are the key properties of N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine?
N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-1-piperidin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145424920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).