1-(5-methylhex-5-enoxy)ethanamine

C9H19NO — CID 155085112

IUPAC1-(5-methylhex-5-enoxy)ethanamine
SMILESC=C(C)CCCCOC(C)N
InChIInChI=1S/C9H19NO/c1-8(2)6-4-5-7-11-9(3)10/h9H,1,4-7,10H2,2-3H3
InChIKeyVBUHFPWCZNCOFD-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds6

About 1-(5-methylhex-5-enoxy)ethanamine

1-(5-methylhex-5-enoxy)ethanamine (PubChem CID 155085112) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(5-methylhex-5-enoxy)ethanamine.

Molecular Properties

Compound Name1-(5-methylhex-5-enoxy)ethanamine
PubChem CID155085112
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(5-methylhex-5-enoxy)ethanamine
SMILESC=C(C)CCCCOC(C)N
InChIInChI=1S/C9H19NO/c1-8(2)6-4-5-7-11-9(3)10/h9H,1,4-7,10H2,2-3H3
InChIKeyVBUHFPWCZNCOFD-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhex-5-enoxy)ethanamine?
The IUPAC name of 1-(5-methylhex-5-enoxy)ethanamine (CID 155085112) is 1-(5-methylhex-5-enoxy)ethanamine.
What is the SMILES notation for 1-(5-methylhex-5-enoxy)ethanamine?
The canonical SMILES for 1-(5-methylhex-5-enoxy)ethanamine is C=C(C)CCCCOC(C)N.
What is the InChIKey of 1-(5-methylhex-5-enoxy)ethanamine?
The InChIKey is VBUHFPWCZNCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-4-5-7-11-9(3)10/h9H,1,4-7,10H2,2-3H3.
What are the key properties of 1-(5-methylhex-5-enoxy)ethanamine?
1-(5-methylhex-5-enoxy)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhex-5-enoxy)ethanamine is sourced from PubChem (CID 155085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).