acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane

C23H47NO2 — CID 145234993

IUPACacetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC=O.CCC.CN(C)C
InChIInChI=1S/C15H26O.C3H9N.C3H8.C2H4O/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-4(2)3;1-3-2;1-2-3/h10-13H,4-5,7-9H2,1-3,6H3;1-3H3;3H2,1-2H3;2H,1H3/b11-10-;;;
InChIKeyDPSVSPPEONDQHG-RVVQQURLSA-N
MW369.63 g/mol
LogP6.52
Rot. Bonds8

About acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane

acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane (PubChem CID 145234993) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
PubChem CID145234993
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Nameacetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
SMILESC=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC=O.CCC.CN(C)C
InChIInChI=1S/C15H26O.C3H9N.C3H8.C2H4O/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-4(2)3;1-3-2;1-2-3/h10-13H,4-5,7-9H2,1-3,6H3;1-3H3;3H2,1-2H3;2H,1H3/b11-10-;;;
InChIKeyDPSVSPPEONDQHG-RVVQQURLSA-N
XLogP6.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;N,N-dimethylmethanamine;(8Z,12Z)-9-ethyl-3,6,15,18-tetramethyl-7,10,11,14-tetramethylideneicosa-8,12-diene;propane
CID 145235041
N-methoxysulfanyl-N-methylmethanamine;(3Z,7Z)-2-methoxy-4,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;propane
CID 145235096
acetaldehyde;N,N-dimethylmethanamine;(3Z)-4-ethyl-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane
CID 145235177

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The IUPAC name of acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane (CID 145234993) is acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane.
What is the SMILES notation for acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The canonical SMILES for acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane is C=C(/C=C\C(=C)C(C)CCC(C)CC)OC.CC=O.CCC.CN(C)C.
What is the InChIKey of acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
The InChIKey is DPSVSPPEONDQHG-RVVQQURLSA-N. The full InChI is InChI=1S/C15H26O.C3H9N.C3H8.C2H4O/c1-7-12(2)8-9-13(3)14(4)10-11-15(5)16-6;1-4(2)3;1-3-2;1-2-3/h10-13H,4-5,7-9H2,1-3,6H3;1-3H3;3H2,1-2H3;2H,1H3/b11-10-;;;.
What are the key properties of acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane?
acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane has a molecular weight of 369.63 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylmethanamine;(3Z)-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene;propane is sourced from PubChem (CID 145234993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).