2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal

C14H27NO — CID 107401503

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
SMILESCCN(CC1CCC1)CC(C=O)(CC)CC
InChIInChI=1S/C14H27NO/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyXYYQHSOGTQVAGK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds8

About 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal

2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal (PubChem CID 107401503) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
PubChem CID107401503
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
SMILESCCN(CC1CCC1)CC(C=O)(CC)CC
InChIInChI=1S/C14H27NO/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyXYYQHSOGTQVAGK-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
(E)-4-[cyclobutylmethyl(ethyl)amino]but-2-ene-1-thiol
CID 107402971
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropyl]methanethiol
CID 107402951
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal (CID 107401503) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal is CCN(CC1CCC1)CC(C=O)(CC)CC.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal?
The InChIKey is XYYQHSOGTQVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal has a molecular weight of 225.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 107401503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).