2-(2-methylpropylamino)oxydecanal

C14H29NO2 — CID 23150466

IUPAC2-(2-methylpropylamino)oxydecanal
SMILESCCCCCCCCC(C=O)ONCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-14(12-16)17-15-11-13(2)3/h12-15H,4-11H2,1-3H3
InChIKeyIAOFEFBKMBEQST-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.48
Rot. Bonds12

About 2-(2-methylpropylamino)oxydecanal

2-(2-methylpropylamino)oxydecanal (PubChem CID 23150466) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(2-methylpropylamino)oxydecanal.

Molecular Properties

Compound Name2-(2-methylpropylamino)oxydecanal
PubChem CID23150466
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(2-methylpropylamino)oxydecanal
SMILESCCCCCCCCC(C=O)ONCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-14(12-16)17-15-11-13(2)3/h12-15H,4-11H2,1-3H3
InChIKeyIAOFEFBKMBEQST-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropylamino)oxypentanal
CID 23150391
2-(2-ethoxyethoxy)octanal
CID 22457210
1-oxononan-2-yl methanesulfonate
CID 87934201
2-dimethylsilyloxyheptanal
CID 173354417
2-phenoxyundecanal
CID 57130450
2-methyldodecanal
CID 87784106
1-oxopentadecan-2-yl octadecanoate
CID 173390746
(2S)-2-(2-methylanilino)oxyheptanal
CID 59053281
2-methylheptadecane;hydrobromide
CID 174866228
N-(2-methylnonyl)formamide
CID 146433499
2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
CID 81016736
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)oxydecanal?
The IUPAC name of 2-(2-methylpropylamino)oxydecanal (CID 23150466) is 2-(2-methylpropylamino)oxydecanal.
What is the SMILES notation for 2-(2-methylpropylamino)oxydecanal?
The canonical SMILES for 2-(2-methylpropylamino)oxydecanal is CCCCCCCCC(C=O)ONCC(C)C.
What is the InChIKey of 2-(2-methylpropylamino)oxydecanal?
The InChIKey is IAOFEFBKMBEQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-14(12-16)17-15-11-13(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylpropylamino)oxydecanal?
2-(2-methylpropylamino)oxydecanal has a molecular weight of 243.39 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)oxydecanal is sourced from PubChem (CID 23150466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).