2-(hexylamino)propanal

C9H19NO — CID 22366868

IUPAC2-(hexylamino)propanal
SMILESCCCCCCNC(C)C=O
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-10-9(2)8-11/h8-10H,3-7H2,1-2H3
InChIKeyFETWSHWWSUHPIV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.74
Rot. Bonds7

About 2-(hexylamino)propanal

2-(hexylamino)propanal (PubChem CID 22366868) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(hexylamino)propanal.

Molecular Properties

Compound Name2-(hexylamino)propanal
PubChem CID22366868
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(hexylamino)propanal
SMILESCCCCCCNC(C)C=O
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-10-9(2)8-11/h8-10H,3-7H2,1-2H3
InChIKeyFETWSHWWSUHPIV-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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 2-(hexylamino)propanal?
The IUPAC name of 2-(hexylamino)propanal (CID 22366868) is 2-(hexylamino)propanal.
What is the SMILES notation for 2-(hexylamino)propanal?
The canonical SMILES for 2-(hexylamino)propanal is CCCCCCNC(C)C=O.
What is the InChIKey of 2-(hexylamino)propanal?
The InChIKey is FETWSHWWSUHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-6-7-10-9(2)8-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(hexylamino)propanal?
2-(hexylamino)propanal has a molecular weight of 157.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)propanal is sourced from PubChem (CID 22366868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).