ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine

C15H32N2 — CID 169104168

IUPACethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
SMILESC=C/C=N/C=C.CC.CC.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H7N.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;2*1-2/h2-6H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;
InChIKeyXLRVMSYLWBORIV-BWVIBOQJSA-N
MW240.43 g/mol
LogP4.54
Rot. Bonds2

About ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine

ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine (PubChem CID 169104168) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine.

Molecular Properties

Compound Nameethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
PubChem CID169104168
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
SMILESC=C/C=N/C=C.CC.CC.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H7N.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;2*1-2/h2-6H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;
InChIKeyXLRVMSYLWBORIV-BWVIBOQJSA-N
XLogP4.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11198950
1-pentyl-2H-pyrimidine
CID 66587415
1,2-dipentyl-2H-pyrimidine
CID 66633153
1-Pentyl-1,4-diazepine
CID 69842036
1-(3-Piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 71356626
CID 123352197
CID 123352197
N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
CID 123932561
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 134388024
N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
CID 134406137
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130
(Z)-N-[(Z)-ethylideneamino]-N-methylprop-1-en-1-amine;1-methylpiperidine
CID 145689566

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine?
The IUPAC name of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine (CID 169104168) is ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine.
What is the SMILES notation for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine?
The canonical SMILES for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine is C=C/C=N/C=C.CC.CC.CN1CCCCC1.
What is the InChIKey of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine?
The InChIKey is XLRVMSYLWBORIV-BWVIBOQJSA-N. The full InChI is InChI=1S/C6H13N.C5H7N.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;2*1-2/h2-6H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;.
What are the key properties of ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine?
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine has a molecular weight of 240.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine is sourced from PubChem (CID 169104168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).