acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde

C11H25NO2 — CID 170732723

IUPACacetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde
SMILESC=O.CC=O.CCCCCCN(C)C
InChIInChI=1S/C8H19N.C2H4O.CH2O/c1-4-5-6-7-8-9(2)3;1-2-3;1-2/h4-8H2,1-3H3;2H,1H3;1H2
InChIKeyAPTGFRFWEVXDMB-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.15
Rot. Bonds5

About acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde

acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde (PubChem CID 170732723) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde.

Molecular Properties

Compound Nameacetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde
PubChem CID170732723
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameacetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde
SMILESC=O.CC=O.CCCCCCN(C)C
InChIInChI=1S/C8H19N.C2H4O.CH2O/c1-4-5-6-7-8-9(2)3;1-2-3;1-2/h4-8H2,1-3H3;2H,1H3;1H2
InChIKeyAPTGFRFWEVXDMB-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde?
The IUPAC name of acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde (CID 170732723) is acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde.
What is the SMILES notation for acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde?
The canonical SMILES for acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde is C=O.CC=O.CCCCCCN(C)C.
What is the InChIKey of acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde?
The InChIKey is APTGFRFWEVXDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H4O.CH2O/c1-4-5-6-7-8-9(2)3;1-2-3;1-2/h4-8H2,1-3H3;2H,1H3;1H2.
What are the key properties of acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde?
acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde has a molecular weight of 203.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde is sourced from PubChem (CID 170732723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).