2,2,4,4-tetramethyl-5-(methylamino)pentanal

C10H21NO — CID 143414769

IUPAC2,2,4,4-tetramethyl-5-(methylamino)pentanal
SMILESCNCC(C)(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-9(2,7-11-5)6-10(3,4)8-12/h8,11H,6-7H2,1-5H3
InChIKeySPDUASONJKWWRW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.85
Rot. Bonds5

About 2,2,4,4-tetramethyl-5-(methylamino)pentanal

2,2,4,4-tetramethyl-5-(methylamino)pentanal (PubChem CID 143414769) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-(methylamino)pentanal.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-(methylamino)pentanal
PubChem CID143414769
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2,4,4-tetramethyl-5-(methylamino)pentanal
SMILESCNCC(C)(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-9(2,7-11-5)6-10(3,4)8-12/h8,11H,6-7H2,1-5H3
InChIKeySPDUASONJKWWRW-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-(methylamino)pentanal?
The IUPAC name of 2,2,4,4-tetramethyl-5-(methylamino)pentanal (CID 143414769) is 2,2,4,4-tetramethyl-5-(methylamino)pentanal.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-(methylamino)pentanal?
The canonical SMILES for 2,2,4,4-tetramethyl-5-(methylamino)pentanal is CNCC(C)(C)CC(C)(C)C=O.
What is the InChIKey of 2,2,4,4-tetramethyl-5-(methylamino)pentanal?
The InChIKey is SPDUASONJKWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,7-11-5)6-10(3,4)8-12/h8,11H,6-7H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-5-(methylamino)pentanal?
2,2,4,4-tetramethyl-5-(methylamino)pentanal has a molecular weight of 171.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-(methylamino)pentanal is sourced from PubChem (CID 143414769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).