3-[hexyl(methyl)amino]-3-hydroxypropanal

C10H21NO2 — CID 88665429

IUPAC3-[hexyl(methyl)amino]-3-hydroxypropanal
SMILESCCCCCCN(C)C(O)CC=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-8-11(2)10(13)7-9-12/h9-10,13H,3-8H2,1-2H3
InChIKeyVWALRDBOBLDJJC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.41
Rot. Bonds8

About 3-[hexyl(methyl)amino]-3-hydroxypropanal

3-[hexyl(methyl)amino]-3-hydroxypropanal (PubChem CID 88665429) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[hexyl(methyl)amino]-3-hydroxypropanal.

Molecular Properties

Compound Name3-[hexyl(methyl)amino]-3-hydroxypropanal
PubChem CID88665429
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[hexyl(methyl)amino]-3-hydroxypropanal
SMILESCCCCCCN(C)C(O)CC=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-8-11(2)10(13)7-9-12/h9-10,13H,3-8H2,1-2H3
InChIKeyVWALRDBOBLDJJC-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(methyl)amino]-3-hydroxypropanal?
The IUPAC name of 3-[hexyl(methyl)amino]-3-hydroxypropanal (CID 88665429) is 3-[hexyl(methyl)amino]-3-hydroxypropanal.
What is the SMILES notation for 3-[hexyl(methyl)amino]-3-hydroxypropanal?
The canonical SMILES for 3-[hexyl(methyl)amino]-3-hydroxypropanal is CCCCCCN(C)C(O)CC=O.
What is the InChIKey of 3-[hexyl(methyl)amino]-3-hydroxypropanal?
The InChIKey is VWALRDBOBLDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-8-11(2)10(13)7-9-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-[hexyl(methyl)amino]-3-hydroxypropanal?
3-[hexyl(methyl)amino]-3-hydroxypropanal has a molecular weight of 187.28 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(methyl)amino]-3-hydroxypropanal is sourced from PubChem (CID 88665429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).