6-ethenoxy-N-ethylhexan-1-amine

C10H21NO — CID 139640608

IUPAC6-ethenoxy-N-ethylhexan-1-amine
SMILESC=COCCCCCCNCC
InChIInChI=1S/C10H21NO/c1-3-11-9-7-5-6-8-10-12-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyVVOBLDXFKKHSMX-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds9

About 6-ethenoxy-N-ethylhexan-1-amine

6-ethenoxy-N-ethylhexan-1-amine (PubChem CID 139640608) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-ethenoxy-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-ethenoxy-N-ethylhexan-1-amine
PubChem CID139640608
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-ethenoxy-N-ethylhexan-1-amine
SMILESC=COCCCCCCNCC
InChIInChI=1S/C10H21NO/c1-3-11-9-7-5-6-8-10-12-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyVVOBLDXFKKHSMX-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-ethenoxy-N-ethylhexan-1-amine?
The IUPAC name of 6-ethenoxy-N-ethylhexan-1-amine (CID 139640608) is 6-ethenoxy-N-ethylhexan-1-amine.
What is the SMILES notation for 6-ethenoxy-N-ethylhexan-1-amine?
The canonical SMILES for 6-ethenoxy-N-ethylhexan-1-amine is C=COCCCCCCNCC.
What is the InChIKey of 6-ethenoxy-N-ethylhexan-1-amine?
The InChIKey is VVOBLDXFKKHSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-11-9-7-5-6-8-10-12-4-2/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 6-ethenoxy-N-ethylhexan-1-amine?
6-ethenoxy-N-ethylhexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-N-ethylhexan-1-amine is sourced from PubChem (CID 139640608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).