2-(cyclohexylamino)propanal

C9H17NO — CID 22397307

IUPAC2-(cyclohexylamino)propanal
SMILESCC(C=O)NC1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3
InChIKeyPTQLETOZAXDLEP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.50
Rot. Bonds3

About 2-(cyclohexylamino)propanal

2-(cyclohexylamino)propanal (PubChem CID 22397307) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(cyclohexylamino)propanal.

Molecular Properties

Compound Name2-(cyclohexylamino)propanal
PubChem CID22397307
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(cyclohexylamino)propanal
SMILESCC(C=O)NC1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3
InChIKeyPTQLETOZAXDLEP-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
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-(cyclohexylamino)propanal?
The IUPAC name of 2-(cyclohexylamino)propanal (CID 22397307) is 2-(cyclohexylamino)propanal.
What is the SMILES notation for 2-(cyclohexylamino)propanal?
The canonical SMILES for 2-(cyclohexylamino)propanal is CC(C=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)propanal?
The InChIKey is PTQLETOZAXDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h7-10H,2-6H2,1H3.
What are the key properties of 2-(cyclohexylamino)propanal?
2-(cyclohexylamino)propanal has a molecular weight of 155.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)propanal is sourced from PubChem (CID 22397307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).