2,6-bis(methylamino)hexanal

C8H18N2O — CID 21359132

IUPAC2,6-bis(methylamino)hexanal
SMILESCNCCCCC(C=O)NC
InChIInChI=1S/C8H18N2O/c1-9-6-4-3-5-8(7-11)10-2/h7-10H,3-6H2,1-2H3
InChIKeyHZRYDRFCURVTRC-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.16
Rot. Bonds7

About 2,6-bis(methylamino)hexanal

2,6-bis(methylamino)hexanal (PubChem CID 21359132) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2,6-bis(methylamino)hexanal.

Molecular Properties

Compound Name2,6-bis(methylamino)hexanal
PubChem CID21359132
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2,6-bis(methylamino)hexanal
SMILESCNCCCCC(C=O)NC
InChIInChI=1S/C8H18N2O/c1-9-6-4-3-5-8(7-11)10-2/h7-10H,3-6H2,1-2H3
InChIKeyHZRYDRFCURVTRC-UHFFFAOYSA-N
XLogP0.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,6-bis(methylamino)hexanal?
The IUPAC name of 2,6-bis(methylamino)hexanal (CID 21359132) is 2,6-bis(methylamino)hexanal.
What is the SMILES notation for 2,6-bis(methylamino)hexanal?
The canonical SMILES for 2,6-bis(methylamino)hexanal is CNCCCCC(C=O)NC.
What is the InChIKey of 2,6-bis(methylamino)hexanal?
The InChIKey is HZRYDRFCURVTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9-6-4-3-5-8(7-11)10-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,6-bis(methylamino)hexanal?
2,6-bis(methylamino)hexanal has a molecular weight of 158.25 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylamino)hexanal is sourced from PubChem (CID 21359132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).