ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

C15H27N3O — CID 145197711

IUPACethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCC(CN=O)CC1.CC
InChIInChI=1S/C13H21N3O.C2H6/c1-11(2)14-8-12(3)10-16-6-4-13(5-7-16)9-15-17;1-2/h8,13H,1,3-7,9-10H2,2H3;1-2H3/b14-8+;
InChIKeyXQDHBRVWSAAWQR-XHIXCECLSA-N
MW265.40 g/mol
LogP3.65
Rot. Bonds6

About ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145197711) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145197711
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCC(CN=O)CC1.CC
InChIInChI=1S/C13H21N3O.C2H6/c1-11(2)14-8-12(3)10-16-6-4-13(5-7-16)9-15-17;1-2/h8,13H,1,3-7,9-10H2,2H3;1-2H3/b14-8+;
InChIKeyXQDHBRVWSAAWQR-XHIXCECLSA-N
XLogP3.65
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-nitrosopiperidin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198392
2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197712

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145197711) is ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCC(CN=O)CC1.CC.
What is the InChIKey of ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is XQDHBRVWSAAWQR-XHIXCECLSA-N. The full InChI is InChI=1S/C13H21N3O.C2H6/c1-11(2)14-8-12(3)10-16-6-4-13(5-7-16)9-15-17;1-2/h8,13H,1,3-7,9-10H2,2H3;1-2H3/b14-8+;.
What are the key properties of ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 265.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[4-(nitrosomethyl)piperidin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145197711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).