2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial

C14H27NO2 — CID 87299808

IUPAC2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial
SMILESCCCN(C)CCC(C=O)CCCC(C)C=O
InChIInChI=1S/C14H27NO2/c1-4-9-15(3)10-8-14(12-17)7-5-6-13(2)11-16/h11-14H,4-10H2,1-3H3
InChIKeyWRVBZUNZUQUQNW-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.54
Rot. Bonds11

About 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial

2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial (PubChem CID 87299808) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial.

Molecular Properties

Compound Name2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial
PubChem CID87299808
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial
SMILESCCCN(C)CCC(C=O)CCCC(C)C=O
InChIInChI=1S/C14H27NO2/c1-4-9-15(3)10-8-14(12-17)7-5-6-13(2)11-16/h11-14H,4-10H2,1-3H3
InChIKeyWRVBZUNZUQUQNW-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial?
The IUPAC name of 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial (CID 87299808) is 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial.
What is the SMILES notation for 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial?
The canonical SMILES for 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial is CCCN(C)CCC(C=O)CCCC(C)C=O.
What is the InChIKey of 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial?
The InChIKey is WRVBZUNZUQUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-15(3)10-8-14(12-17)7-5-6-13(2)11-16/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial?
2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial has a molecular weight of 241.38 g/mol, XLogP of 2.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[methyl(propyl)amino]ethyl]heptanedial is sourced from PubChem (CID 87299808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).