5-(2-methylpropylamino)pentanal

C9H19NO — CID 54319309

IUPAC5-(2-methylpropylamino)pentanal
SMILESCC(C)CNCCCCC=O
InChIInChI=1S/C9H19NO/c1-9(2)8-10-6-4-3-5-7-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXFKKWQDNDYPZPF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds7

About 5-(2-methylpropylamino)pentanal

5-(2-methylpropylamino)pentanal (PubChem CID 54319309) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(2-methylpropylamino)pentanal.

Molecular Properties

Compound Name5-(2-methylpropylamino)pentanal
PubChem CID54319309
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(2-methylpropylamino)pentanal
SMILESCC(C)CNCCCCC=O
InChIInChI=1S/C9H19NO/c1-9(2)8-10-6-4-3-5-7-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXFKKWQDNDYPZPF-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 5-(2-methylpropylamino)pentanal?
The IUPAC name of 5-(2-methylpropylamino)pentanal (CID 54319309) is 5-(2-methylpropylamino)pentanal.
What is the SMILES notation for 5-(2-methylpropylamino)pentanal?
The canonical SMILES for 5-(2-methylpropylamino)pentanal is CC(C)CNCCCCC=O.
What is the InChIKey of 5-(2-methylpropylamino)pentanal?
The InChIKey is XFKKWQDNDYPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)8-10-6-4-3-5-7-11/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 5-(2-methylpropylamino)pentanal?
5-(2-methylpropylamino)pentanal has a molecular weight of 157.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)pentanal is sourced from PubChem (CID 54319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).