N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine

C13H22N2 — CID 142099607

IUPACN-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
SMILESC/C=N/C=C\CCC=C1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-3-14-10-6-4-5-7-13-8-11-15(2)12-9-13/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3/b10-6-,14-3+
InChIKeyINQOSAJJDADHRW-UXWTUUCISA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds4

About N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine

N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine (PubChem CID 142099607) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
PubChem CID142099607
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
SMILESC/C=N/C=C\CCC=C1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-3-14-10-6-4-5-7-13-8-11-15(2)12-9-13/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3/b10-6-,14-3+
InChIKeyINQOSAJJDADHRW-UXWTUUCISA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 70813854
N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
5-(piperidin-1-ylmethyl)-4H-azepine
CID 123405058
N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide
CID 134407873
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143046256
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
CID 143171835
methane;3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143431658
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine (CID 142099607) is N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine is C/C=N/C=C\CCC=C1CCN(C)CC1.
What is the InChIKey of N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine?
The InChIKey is INQOSAJJDADHRW-UXWTUUCISA-N. The full InChI is InChI=1S/C13H22N2/c1-3-14-10-6-4-5-7-13-8-11-15(2)12-9-13/h3,6-7,10H,4-5,8-9,11-12H2,1-2H3/b10-6-,14-3+.
What are the key properties of N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine?
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine is sourced from PubChem (CID 142099607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).