2-[[methyl(propyl)amino]methyl]nonanedial

C14H27NO2 — CID 87300354

IUPAC2-[[methyl(propyl)amino]methyl]nonanedial
SMILESCCCN(C)CC(C=O)CCCCCCC=O
InChIInChI=1S/C14H27NO2/c1-3-10-15(2)12-14(13-17)9-7-5-4-6-8-11-16/h11,13-14H,3-10,12H2,1-2H3
InChIKeyMLLOOMLNPLWPFW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.68
Rot. Bonds12

About 2-[[methyl(propyl)amino]methyl]nonanedial

2-[[methyl(propyl)amino]methyl]nonanedial (PubChem CID 87300354) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[methyl(propyl)amino]methyl]nonanedial.

Molecular Properties

Compound Name2-[[methyl(propyl)amino]methyl]nonanedial
PubChem CID87300354
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[methyl(propyl)amino]methyl]nonanedial
SMILESCCCN(C)CC(C=O)CCCCCCC=O
InChIInChI=1S/C14H27NO2/c1-3-10-15(2)12-14(13-17)9-7-5-4-6-8-11-16/h11,13-14H,3-10,12H2,1-2H3
InChIKeyMLLOOMLNPLWPFW-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Hexylpyrrolidin-3-yl)pentanal
CID 53731153
2-ethyl-N,N-dimethyl-7-oxoheptanamide
CID 54114573
N-(11-formyloctadecyl)-N-methylacetamide
CID 54558053
2-Methyl-7-[[methyl(propyl)amino]methyl]octanedial
CID 87299688
2-Methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial
CID 87299808
2-[2-[Methyl(propyl)amino]ethyl]octanedial
CID 87299933
2-[4-[(Dimethylamino)methyl]cyclohexyl]acetaldehyde
CID 87550039
2-(1,4,6-Trimethylpiperidin-2-yl)acetaldehyde
CID 88268707
N-(10-formyloctadecyl)-N-methylacetamide
CID 88522530
2-[[Ethyl(methyl)amino]methyl]nonanedial
CID 91057209
2-[2-[Ethyl(methyl)amino]ethyl]-6-methylheptanedial
CID 91166614
2-[[Ethyl(methyl)amino]methyl]-7-methyloctanedial
CID 91805622

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propyl)amino]methyl]nonanedial?
The IUPAC name of 2-[[methyl(propyl)amino]methyl]nonanedial (CID 87300354) is 2-[[methyl(propyl)amino]methyl]nonanedial.
What is the SMILES notation for 2-[[methyl(propyl)amino]methyl]nonanedial?
The canonical SMILES for 2-[[methyl(propyl)amino]methyl]nonanedial is CCCN(C)CC(C=O)CCCCCCC=O.
What is the InChIKey of 2-[[methyl(propyl)amino]methyl]nonanedial?
The InChIKey is MLLOOMLNPLWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-10-15(2)12-14(13-17)9-7-5-4-6-8-11-16/h11,13-14H,3-10,12H2,1-2H3.
What are the key properties of 2-[[methyl(propyl)amino]methyl]nonanedial?
2-[[methyl(propyl)amino]methyl]nonanedial has a molecular weight of 241.37 g/mol, XLogP of 2.68, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propyl)amino]methyl]nonanedial is sourced from PubChem (CID 87300354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).