2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde

C16H25NO — CID 91656478

IUPAC2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
SMILESCC(C)CN(Cc1ccccc1C=O)CC(C)C
InChIInChI=1S/C16H25NO/c1-13(2)9-17(10-14(3)4)11-15-7-5-6-8-16(15)12-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyRTNUJCMIYHRREP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds7

About 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde

2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde (PubChem CID 91656478) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
PubChem CID91656478
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
SMILESCC(C)CN(Cc1ccccc1C=O)CC(C)C
InChIInChI=1S/C16H25NO/c1-13(2)9-17(10-14(3)4)11-15-7-5-6-8-16(15)12-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyRTNUJCMIYHRREP-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
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-[[di(propan-2-yl)amino]methyl]benzaldehyde
CID 91657782
3-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909271
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
CID 115462632
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
3-[[bis(2-methylpropyl)amino]methyl]-2-bromoaniline
CID 114048474
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
2-propan-2-ylsulfinylbenzaldehyde
CID 59841584
2-(2,2-dihydroxyethyl)benzaldehyde
CID 165000650
2-[(2E,4E)-hexa-2,4-dienyl]benzaldehyde
CID 11084574

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde (CID 91656478) is 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde is CC(C)CN(Cc1ccccc1C=O)CC(C)C.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde?
The InChIKey is RTNUJCMIYHRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)9-17(10-14(3)4)11-15-7-5-6-8-16(15)12-18/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde?
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde has a molecular weight of 247.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde is sourced from PubChem (CID 91656478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).