2-[(dimethylamino)methyl]pentanal

C8H17NO — CID 12507204

IUPAC2-[(dimethylamino)methyl]pentanal
SMILESCCCC(C=O)CN(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(7-10)6-9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCZYUZFQUQIMPDJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds5

About 2-[(dimethylamino)methyl]pentanal

2-[(dimethylamino)methyl]pentanal (PubChem CID 12507204) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]pentanal.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]pentanal
PubChem CID12507204
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(dimethylamino)methyl]pentanal
SMILESCCCC(C=O)CN(C)C
InChIInChI=1S/C8H17NO/c1-4-5-8(7-10)6-9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyCZYUZFQUQIMPDJ-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
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]pentanal?
The IUPAC name of 2-[(dimethylamino)methyl]pentanal (CID 12507204) is 2-[(dimethylamino)methyl]pentanal.
What is the SMILES notation for 2-[(dimethylamino)methyl]pentanal?
The canonical SMILES for 2-[(dimethylamino)methyl]pentanal is CCCC(C=O)CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]pentanal?
The InChIKey is CZYUZFQUQIMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(7-10)6-9(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]pentanal?
2-[(dimethylamino)methyl]pentanal has a molecular weight of 143.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]pentanal is sourced from PubChem (CID 12507204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).