2-(dimethylaminomethylidene)hexanal

C9H17NO — CID 54033763

IUPAC2-(dimethylaminomethylidene)hexanal
SMILESCCCCC(C=O)=CN(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-9(8-11)7-10(2)3/h7-8H,4-6H2,1-3H3
InChIKeyLHLWMTDWSULUCP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds5

About 2-(dimethylaminomethylidene)hexanal

2-(dimethylaminomethylidene)hexanal (PubChem CID 54033763) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)hexanal.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)hexanal
PubChem CID54033763
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(dimethylaminomethylidene)hexanal
SMILESCCCCC(C=O)=CN(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-9(8-11)7-10(2)3/h7-8H,4-6H2,1-3H3
InChIKeyLHLWMTDWSULUCP-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-Dimethylaminomethylene-butyraldehyde
CID 21583174
2-Propyl-3-dimethylaminoacrolein
CID 11665426
2-[(Dimethylamino)methylidene]heptanal
CID 53701652
2-[(Dimethylamino)methylidene]nonanal
CID 53828123
6-Methyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroazepine-3-carbaldehyde
CID 156481039
(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal
CID 134893715
(2Z,3S)-2-(dimethylaminomethylidene)-3-methylpentanal
CID 14746477
(2E)-2-(dimethylaminomethylidene)hexanal
CID 12238627
(2E)-2-(dimethylaminomethylidene)heptanal
CID 12238628
(2E)-2-(dimethylaminomethylidene)nonanal
CID 12238629
(2E)-2-(dimethylaminomethylidene)octanal
CID 12238647
(2Z)-2-(dimethylaminomethylidene)dodecanal
CID 18934325

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylidene)hexanal?
The IUPAC name of 2-(dimethylaminomethylidene)hexanal (CID 54033763) is 2-(dimethylaminomethylidene)hexanal.
What is the SMILES notation for 2-(dimethylaminomethylidene)hexanal?
The canonical SMILES for 2-(dimethylaminomethylidene)hexanal is CCCCC(C=O)=CN(C)C.
What is the InChIKey of 2-(dimethylaminomethylidene)hexanal?
The InChIKey is LHLWMTDWSULUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-9(8-11)7-10(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(dimethylaminomethylidene)hexanal?
2-(dimethylaminomethylidene)hexanal has a molecular weight of 155.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)hexanal is sourced from PubChem (CID 54033763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).