acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane

C23H46N4O — CID 156711989

IUPACacetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane
SMILESC/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC.CC=O.CCC
InChIInChI=1S/C18H34N4.C3H8.C2H4O/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4;1-3-2;1-2-3/h8-9,14-15,17,19H,7,10-13H2,1-6H3;3H2,1-2H3;2H,1H3/b16-8+,18-9+,20-14-;;
InChIKeyPSGUJJHMXXAZJO-FANWGAEISA-N
MW394.65 g/mol
LogP4.86
Rot. Bonds7

About acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane

acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane (PubChem CID 156711989) has the molecular formula C23H46N4O and a molecular weight of 394.65 g/mol. Its IUPAC name is acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane.

Molecular Properties

Compound Nameacetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane
PubChem CID156711989
Molecular FormulaC23H46N4O
Molecular Weight394.65 g/mol
Exact Mass394.37
IUPAC Nameacetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane
SMILESC/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC.CC=O.CCC
InChIInChI=1S/C18H34N4.C3H8.C2H4O/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4;1-3-2;1-2-3/h8-9,14-15,17,19H,7,10-13H2,1-6H3;3H2,1-2H3;2H,1H3/b16-8+,18-9+,20-14-;;
InChIKeyPSGUJJHMXXAZJO-FANWGAEISA-N
XLogP4.86
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
CID 156711990

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane?
The IUPAC name of acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane (CID 156711989) is acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane.
What is the SMILES notation for acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane?
The canonical SMILES for acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane is C/C=C(\C=N/C(=C\CC)N1CCC(N(C)C(C)C)CC1)NC.CC=O.CCC.
What is the InChIKey of acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane?
The InChIKey is PSGUJJHMXXAZJO-FANWGAEISA-N. The full InChI is InChI=1S/C18H34N4.C3H8.C2H4O/c1-7-9-18(20-14-16(8-2)19-5)22-12-10-17(11-13-22)21(6)15(3)4;1-3-2;1-2-3/h8-9,14-15,17,19H,7,10-13H2,1-6H3;3H2,1-2H3;2H,1H3/b16-8+,18-9+,20-14-;;.
What are the key properties of acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane?
acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane has a molecular weight of 394.65 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine;propane is sourced from PubChem (CID 156711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).