N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine

C11H18N2 — CID 143660824

IUPACN-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine
SMILESC=C/C=C\N=C(/C)C1CCCCN1
InChIInChI=1S/C11H18N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h3-4,8,11,13H,1,5-7,9H2,2H3/b8-4-,12-10+
InChIKeyMPWQIMDLCTXCBM-DIXMKNLJSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine

N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine (PubChem CID 143660824) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine
PubChem CID143660824
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine
SMILESC=C/C=C\N=C(/C)C1CCCCN1
InChIInChI=1S/C11H18N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h3-4,8,11,13H,1,5-7,9H2,2H3/b8-4-,12-10+
InChIKeyMPWQIMDLCTXCBM-DIXMKNLJSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine;ethane
CID 155735826
5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine
CID 163944905
3-butyl-2,7-dihydro-1H-1,4-diazepine
CID 166971355
2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163853
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-amine
CID 155735827

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine (CID 143660824) is N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine is C=C/C=C\N=C(/C)C1CCCCN1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine?
The InChIKey is MPWQIMDLCTXCBM-DIXMKNLJSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-8-12-10(2)11-7-5-6-9-13-11/h3-4,8,11,13H,1,5-7,9H2,2H3/b8-4-,12-10+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine?
N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine 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-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine is sourced from PubChem (CID 143660824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).