N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine

C11H18N2 — CID 145448920

IUPACN-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CCCNC1=C(C)C
InChIInChI=1S/C11H18N2/c1-4-12-8-10-6-5-7-13-11(10)9(2)3/h4,8,13H,5-7H2,1-3H3/b10-8-,12-4+
InChIKeyLAZPEHJDIIQCLN-DCQIKPFTSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds1

About N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine

N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine (PubChem CID 145448920) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine
PubChem CID145448920
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CCCNC1=C(C)C
InChIInChI=1S/C11H18N2/c1-4-12-8-10-6-5-7-13-11(10)9(2)3/h4,8,13H,5-7H2,1-3H3/b10-8-,12-4+
InChIKeyLAZPEHJDIIQCLN-DCQIKPFTSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
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

Bis(3 pyridylidene)piperidin
CID 132275763
9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69228382
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
N-(2-piperazin-1-yl-5-propan-2-ylidenecyclopenten-1-yl)ethanimine
CID 124014538
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
CID 130181126
(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine
CID 135248037
N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine
CID 138487196
(E)-2-ethenyl-4-methylimino-N-[(E)-piperidin-2-ylidenemethyl]but-2-en-1-amine
CID 141944458
N-[(Z)-(2-methylidenepiperidin-3-ylidene)methyl]ethanimine
CID 142054800
ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
CID 142070283

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine?
The IUPAC name of N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine (CID 145448920) is N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine is C/C=N/C=C1/CCCNC1=C(C)C.
What is the InChIKey of N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine?
The InChIKey is LAZPEHJDIIQCLN-DCQIKPFTSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-8-10-6-5-7-13-11(10)9(2)3/h4,8,13H,5-7H2,1-3H3/b10-8-,12-4+.
What are the key properties of N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine?
N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine has a molecular weight of 178.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine is sourced from PubChem (CID 145448920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).