ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine

C11H22N2 — CID 143163852

IUPACethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC/C=C\N=C1/CCCNC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-3-6-11-9-5-4-7-10-8(9)2;1-2/h3,6,8,10H,4-5,7H2,1-2H3;1-2H3/b6-3-,11-9+;
InChIKeyQSHRVTYFDVIMLM-NRICJPSISA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds1

About ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine

ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine (PubChem CID 143163852) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine.

Molecular Properties

Compound Nameethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
PubChem CID143163852
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC/C=C\N=C1/CCCNC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-3-6-11-9-5-4-7-10-8(9)2;1-2/h3,6,8,10H,4-5,7H2,1-2H3;1-2H3/b6-3-,11-9+;
InChIKeyQSHRVTYFDVIMLM-NRICJPSISA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The IUPAC name of ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine (CID 143163852) is ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine.
What is the SMILES notation for ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The canonical SMILES for ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine is C/C=C\N=C1/CCCNC1C.CC.
What is the InChIKey of ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The InChIKey is QSHRVTYFDVIMLM-NRICJPSISA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-3-6-11-9-5-4-7-10-8(9)2;1-2/h3,6,8,10H,4-5,7H2,1-2H3;1-2H3/b6-3-,11-9+;.
What are the key properties of ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine?
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine is sourced from PubChem (CID 143163852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).