6-amino-2-ethyl-2-methylhexanal

C9H19NO — CID 174609076

IUPAC6-amino-2-ethyl-2-methylhexanal
SMILESCCC(C)(C=O)CCCCN
InChIInChI=1S/C9H19NO/c1-3-9(2,8-11)6-4-5-7-10/h8H,3-7,10H2,1-2H3
InChIKeyIURFSQPJFBLQPQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.73
Rot. Bonds6

About 6-amino-2-ethyl-2-methylhexanal

6-amino-2-ethyl-2-methylhexanal (PubChem CID 174609076) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-amino-2-ethyl-2-methylhexanal.

Molecular Properties

Compound Name6-amino-2-ethyl-2-methylhexanal
PubChem CID174609076
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-amino-2-ethyl-2-methylhexanal
SMILESCCC(C)(C=O)CCCCN
InChIInChI=1S/C9H19NO/c1-3-9(2,8-11)6-4-5-7-10/h8H,3-7,10H2,1-2H3
InChIKeyIURFSQPJFBLQPQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.73
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 6-amino-2-ethyl-2-methylhexanal?
The IUPAC name of 6-amino-2-ethyl-2-methylhexanal (CID 174609076) is 6-amino-2-ethyl-2-methylhexanal.
What is the SMILES notation for 6-amino-2-ethyl-2-methylhexanal?
The canonical SMILES for 6-amino-2-ethyl-2-methylhexanal is CCC(C)(C=O)CCCCN.
What is the InChIKey of 6-amino-2-ethyl-2-methylhexanal?
The InChIKey is IURFSQPJFBLQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(2,8-11)6-4-5-7-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 6-amino-2-ethyl-2-methylhexanal?
6-amino-2-ethyl-2-methylhexanal has a molecular weight of 157.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-2-methylhexanal is sourced from PubChem (CID 174609076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).