N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine

C12H22N2 — CID 170591643

IUPACN-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESCC/N=C(\C=C(C)C)N1CCCCC1
InChIInChI=1S/C12H22N2/c1-4-13-12(10-11(2)3)14-8-6-5-7-9-14/h10H,4-9H2,1-3H3/b13-12+
InChIKeyVSBKSKBOUXSEQY-OUKQBFOZSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds2

About N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine

N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine (PubChem CID 170591643) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
PubChem CID170591643
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
SMILESCC/N=C(\C=C(C)C)N1CCCCC1
InChIInChI=1S/C12H22N2/c1-4-13-12(10-11(2)3)14-8-6-5-7-9-14/h10H,4-9H2,1-3H3/b13-12+
InChIKeyVSBKSKBOUXSEQY-OUKQBFOZSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
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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Related Compounds

(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
1-piperidin-1-ylethanone;propanal
CID 178173122
propane;1-pyrrolidin-1-ylethanone
CID 143432619
4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
CID 150340291
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
(E)-4-cyclohexyl-N-ethylpent-3-en-2-imine
CID 142125943
N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine
CID 176993407
N'-propylazocane-1-carboximidamide
CID 62361040
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
ethyl (E)-3-piperidin-1-ylbut-2-enoate
CID 692003
(2-ethenylsulfanyl-1-hydroxyethyl) N-ethylpiperidine-1-carboximidothioate
CID 155237905
ethyl (3S)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate
CID 81344389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine (CID 170591643) is N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine is CC/N=C(\C=C(C)C)N1CCCCC1.
What is the InChIKey of N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is VSBKSKBOUXSEQY-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-13-12(10-11(2)3)14-8-6-5-7-9-14/h10H,4-9H2,1-3H3/b13-12+.
What are the key properties of N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 170591643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).