2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial

C13H25NO2 — CID 91166614

IUPAC2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial
SMILESCCN(C)CCC(C=O)CCCC(C)C=O
InChIInChI=1S/C13H25NO2/c1-4-14(3)9-8-13(11-16)7-5-6-12(2)10-15/h10-13H,4-9H2,1-3H3
InChIKeySBFYHTFZQUKBKB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.15
Rot. Bonds10

About 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial

2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial (PubChem CID 91166614) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial
PubChem CID91166614
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial
SMILESCCN(C)CCC(C=O)CCCC(C)C=O
InChIInChI=1S/C13H25NO2/c1-4-14(3)9-8-13(11-16)7-5-6-12(2)10-15/h10-13H,4-9H2,1-3H3
InChIKeySBFYHTFZQUKBKB-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.15
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-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial (CID 91166614) is 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial is CCN(C)CCC(C=O)CCCC(C)C=O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial?
The InChIKey is SBFYHTFZQUKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14(3)9-8-13(11-16)7-5-6-12(2)10-15/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial?
2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial has a molecular weight of 227.35 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl]-6-methylheptanedial is sourced from PubChem (CID 91166614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).