3-[methyl(pentyl)amino]propanal

C9H19NO — CID 63039962

IUPAC3-[methyl(pentyl)amino]propanal
SMILESCCCCCN(C)CCC=O
InChIInChI=1S/C9H19NO/c1-3-4-5-7-10(2)8-6-9-11/h9H,3-8H2,1-2H3
InChIKeyNUJVFKKQGRKKPP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds7

About 3-[methyl(pentyl)amino]propanal

3-[methyl(pentyl)amino]propanal (PubChem CID 63039962) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]propanal
PubChem CID63039962
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[methyl(pentyl)amino]propanal
SMILESCCCCCN(C)CCC=O
InChIInChI=1S/C9H19NO/c1-3-4-5-7-10(2)8-6-9-11/h9H,3-8H2,1-2H3
InChIKeyNUJVFKKQGRKKPP-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]propanal?
The IUPAC name of 3-[methyl(pentyl)amino]propanal (CID 63039962) is 3-[methyl(pentyl)amino]propanal.
What is the SMILES notation for 3-[methyl(pentyl)amino]propanal?
The canonical SMILES for 3-[methyl(pentyl)amino]propanal is CCCCCN(C)CCC=O.
What is the InChIKey of 3-[methyl(pentyl)amino]propanal?
The InChIKey is NUJVFKKQGRKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-7-10(2)8-6-9-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-[methyl(pentyl)amino]propanal?
3-[methyl(pentyl)amino]propanal has a molecular weight of 157.26 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)amino]propanal is sourced from PubChem (CID 63039962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).