4-ethyl-5-methoxy-N-methylhex-5-en-1-amine

C10H21NO — CID 146429868

IUPAC4-ethyl-5-methoxy-N-methylhex-5-en-1-amine
SMILESC=C(OC)C(CC)CCCNC
InChIInChI=1S/C10H21NO/c1-5-10(9(2)12-4)7-6-8-11-3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyRHLGVTRBESNMJP-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.17
Rot. Bonds7

About 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine

4-ethyl-5-methoxy-N-methylhex-5-en-1-amine (PubChem CID 146429868) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name4-ethyl-5-methoxy-N-methylhex-5-en-1-amine
PubChem CID146429868
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-ethyl-5-methoxy-N-methylhex-5-en-1-amine
SMILESC=C(OC)C(CC)CCCNC
InChIInChI=1S/C10H21NO/c1-5-10(9(2)12-4)7-6-8-11-3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyRHLGVTRBESNMJP-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.17
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 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine?
The IUPAC name of 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine (CID 146429868) is 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine.
What is the SMILES notation for 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine?
The canonical SMILES for 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine is C=C(OC)C(CC)CCCNC.
What is the InChIKey of 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine?
The InChIKey is RHLGVTRBESNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(9(2)12-4)7-6-8-11-3/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine?
4-ethyl-5-methoxy-N-methylhex-5-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-N-methylhex-5-en-1-amine is sourced from PubChem (CID 146429868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).