N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane

C24H51NO — CID 174693112

IUPACN,N-dimethylmethanamine;(Z)-octadec-9-enal;propane
SMILESCCC.CCCCCCCC/C=C\CCCCCCCC=O.CN(C)C
InChIInChI=1S/C18H34O.C3H9N.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;1-3-2/h9-10,18H,2-8,11-17H2,1H3;1-3H3;3H2,1-2H3/b10-9-;;
InChIKeyWMOIHYLHQDRNJW-XXAVUKJNSA-N
MW369.68 g/mol
LogP7.82
Rot. Bonds15

About N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane

N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane (PubChem CID 174693112) has the molecular formula C24H51NO and a molecular weight of 369.68 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(Z)-octadec-9-enal;propane
PubChem CID174693112
Molecular FormulaC24H51NO
Molecular Weight369.68 g/mol
Exact Mass369.40
IUPAC NameN,N-dimethylmethanamine;(Z)-octadec-9-enal;propane
SMILESCCC.CCCCCCCC/C=C\CCCCCCCC=O.CN(C)C
InChIInChI=1S/C18H34O.C3H9N.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;1-3-2/h9-10,18H,2-8,11-17H2,1H3;1-3H3;3H2,1-2H3/b10-9-;;
InChIKeyWMOIHYLHQDRNJW-XXAVUKJNSA-N
XLogP7.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane?
The IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane (CID 174693112) is N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane.
What is the SMILES notation for N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane?
The canonical SMILES for N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane is CCC.CCCCCCCC/C=C\CCCCCCCC=O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane?
The InChIKey is WMOIHYLHQDRNJW-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H34O.C3H9N.C3H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3;1-3-2/h9-10,18H,2-8,11-17H2,1H3;1-3H3;3H2,1-2H3/b10-9-;;.
What are the key properties of N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane?
N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane has a molecular weight of 369.68 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(Z)-octadec-9-enal;propane is sourced from PubChem (CID 174693112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).