(2R)-6-azido-2-(methylamino)hexanal

C7H14N4O — CID 89131166

IUPAC(2R)-6-azido-2-(methylamino)hexanal
SMILESCN[C@@H](C=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-9-7(6-12)4-2-3-5-10-11-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1
InChIKeyPWAVGEORVONSAD-SSDOTTSWSA-N
MW170.22 g/mol
LogP1.25
Rot. Bonds7

About (2R)-6-azido-2-(methylamino)hexanal

(2R)-6-azido-2-(methylamino)hexanal (PubChem CID 89131166) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (2R)-6-azido-2-(methylamino)hexanal.

Molecular Properties

Compound Name(2R)-6-azido-2-(methylamino)hexanal
PubChem CID89131166
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(2R)-6-azido-2-(methylamino)hexanal
SMILESCN[C@@H](C=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C7H14N4O/c1-9-7(6-12)4-2-3-5-10-11-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1
InChIKeyPWAVGEORVONSAD-SSDOTTSWSA-N
XLogP1.25
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-azido-2-(methylamino)hexanal?
The IUPAC name of (2R)-6-azido-2-(methylamino)hexanal (CID 89131166) is (2R)-6-azido-2-(methylamino)hexanal.
What is the SMILES notation for (2R)-6-azido-2-(methylamino)hexanal?
The canonical SMILES for (2R)-6-azido-2-(methylamino)hexanal is CN[C@@H](C=O)CCCCN=[N+]=[N-].
What is the InChIKey of (2R)-6-azido-2-(methylamino)hexanal?
The InChIKey is PWAVGEORVONSAD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N4O/c1-9-7(6-12)4-2-3-5-10-11-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-6-azido-2-(methylamino)hexanal?
(2R)-6-azido-2-(methylamino)hexanal has a molecular weight of 170.22 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-azido-2-(methylamino)hexanal is sourced from PubChem (CID 89131166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).