2-[(dimethylamino)methyl]-2-methylpentanal

C9H19NO — CID 62275995

IUPAC2-[(dimethylamino)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)C
InChIInChI=1S/C9H19NO/c1-5-6-9(2,8-11)7-10(3)4/h8H,5-7H2,1-4H3
InChIKeyLKEJGURNOVYCRF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds5

About 2-[(dimethylamino)methyl]-2-methylpentanal

2-[(dimethylamino)methyl]-2-methylpentanal (PubChem CID 62275995) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-methylpentanal
PubChem CID62275995
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(dimethylamino)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)C
InChIInChI=1S/C9H19NO/c1-5-6-9(2,8-11)7-10(3)4/h8H,5-7H2,1-4H3
InChIKeyLKEJGURNOVYCRF-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
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-[(dimethylamino)methyl]-2-methylpentanal?
The IUPAC name of 2-[(dimethylamino)methyl]-2-methylpentanal (CID 62275995) is 2-[(dimethylamino)methyl]-2-methylpentanal.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-methylpentanal?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-methylpentanal is CCCC(C)(C=O)CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-methylpentanal?
The InChIKey is LKEJGURNOVYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-9(2,8-11)7-10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-methylpentanal?
2-[(dimethylamino)methyl]-2-methylpentanal has a molecular weight of 157.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-methylpentanal is sourced from PubChem (CID 62275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).