2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal

C17H35NO — CID 107871114

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H35NO/c1-7-17(8-2,14-19)13-18(11-9-15(3)4)12-10-16(5)6/h14-16H,7-13H2,1-6H3
InChIKeyOJSLUGJIQIDURH-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds11

About 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal

2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal (PubChem CID 107871114) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
PubChem CID107871114
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H35NO/c1-7-17(8-2,14-19)13-18(11-9-15(3)4)12-10-16(5)6/h14-16H,7-13H2,1-6H3
InChIKeyOJSLUGJIQIDURH-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
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-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62275835
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62276803
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
CID 107871178
2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
CID 107871175
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
CID 62276772
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
2-ethyl-2-(hydroxymethyl)-4-methylpentanal
CID 154351478
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal (CID 107871114) is 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal is CCC(C=O)(CC)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal?
The InChIKey is OJSLUGJIQIDURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-17(8-2,14-19)13-18(11-9-15(3)4)12-10-16(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal?
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal has a molecular weight of 269.47 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 107871114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).