N,N-dimethylmethanamine;ethane;octanal

C13H31NO — CID 154679924

IUPACN,N-dimethylmethanamine;ethane;octanal
SMILESCC.CCCCCCCC=O.CN(C)C
InChIInChI=1S/C8H16O.C3H9N.C2H6/c1-2-3-4-5-6-7-8-9;1-4(2)3;1-2/h8H,2-7H2,1H3;1-3H3;1-2H3
InChIKeyUNKRUZZHDBGMQA-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.75
Rot. Bonds6

About N,N-dimethylmethanamine;ethane;octanal

N,N-dimethylmethanamine;ethane;octanal (PubChem CID 154679924) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;octanal.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;octanal
PubChem CID154679924
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC NameN,N-dimethylmethanamine;ethane;octanal
SMILESCC.CCCCCCCC=O.CN(C)C
InChIInChI=1S/C8H16O.C3H9N.C2H6/c1-2-3-4-5-6-7-8-9;1-4(2)3;1-2/h8H,2-7H2,1H3;1-3H3;1-2H3
InChIKeyUNKRUZZHDBGMQA-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.75
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;octanal?
The IUPAC name of N,N-dimethylmethanamine;ethane;octanal (CID 154679924) is N,N-dimethylmethanamine;ethane;octanal.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;octanal?
The canonical SMILES for N,N-dimethylmethanamine;ethane;octanal is CC.CCCCCCCC=O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;octanal?
The InChIKey is UNKRUZZHDBGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C3H9N.C2H6/c1-2-3-4-5-6-7-8-9;1-4(2)3;1-2/h8H,2-7H2,1H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylmethanamine;ethane;octanal?
N,N-dimethylmethanamine;ethane;octanal has a molecular weight of 217.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;octanal is sourced from PubChem (CID 154679924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).