2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal

C16H25NO — CID 55052035

IUPAC2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C16H25NO/c1-5-10-16(3,13-18)12-17(4)11-15-9-7-6-8-14(15)2/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJWDCEFXUTQWFKC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds7

About 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal

2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal (PubChem CID 55052035) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
PubChem CID55052035
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C16H25NO/c1-5-10-16(3,13-18)12-17(4)11-15-9-7-6-8-14(15)2/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJWDCEFXUTQWFKC-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
CID 62277579
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
CID 90735302
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774
N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 103069590
2,2-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]hexanenitrile
CID 106709869
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal?
The IUPAC name of 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal (CID 55052035) is 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal.
What is the SMILES notation for 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal?
The canonical SMILES for 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal is CCCC(C)(C=O)CN(C)Cc1ccccc1C.
What is the InChIKey of 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal?
The InChIKey is JWDCEFXUTQWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-10-16(3,13-18)12-17(4)11-15-9-7-6-8-14(15)2/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal?
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal has a molecular weight of 247.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal is sourced from PubChem (CID 55052035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).