2-methyl-4-(methylamino)pentanal

C7H15NO — CID 89006106

IUPAC2-methyl-4-(methylamino)pentanal
SMILESCNC(C)CC(C)C=O
InChIInChI=1S/C7H15NO/c1-6(5-9)4-7(2)8-3/h5-8H,4H2,1-3H3
InChIKeyWBIKBBTVOVMELV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.82
Rot. Bonds4

About 2-methyl-4-(methylamino)pentanal

2-methyl-4-(methylamino)pentanal (PubChem CID 89006106) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)pentanal.

Molecular Properties

Compound Name2-methyl-4-(methylamino)pentanal
PubChem CID89006106
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-4-(methylamino)pentanal
SMILESCNC(C)CC(C)C=O
InChIInChI=1S/C7H15NO/c1-6(5-9)4-7(2)8-3/h5-8H,4H2,1-3H3
InChIKeyWBIKBBTVOVMELV-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.82
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-methyl-4-(methylamino)pentanal?
The IUPAC name of 2-methyl-4-(methylamino)pentanal (CID 89006106) is 2-methyl-4-(methylamino)pentanal.
What is the SMILES notation for 2-methyl-4-(methylamino)pentanal?
The canonical SMILES for 2-methyl-4-(methylamino)pentanal is CNC(C)CC(C)C=O.
What is the InChIKey of 2-methyl-4-(methylamino)pentanal?
The InChIKey is WBIKBBTVOVMELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(5-9)4-7(2)8-3/h5-8H,4H2,1-3H3.
What are the key properties of 2-methyl-4-(methylamino)pentanal?
2-methyl-4-(methylamino)pentanal has a molecular weight of 129.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)pentanal is sourced from PubChem (CID 89006106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).