(E)-3-methoxy-N-methylhex-3-en-2-amine

C8H17NO — CID 146312666

IUPAC(E)-3-methoxy-N-methylhex-3-en-2-amine
SMILESCC/C=C(/OC)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6-8(10-4)7(2)9-3/h6-7,9H,5H2,1-4H3/b8-6+
InChIKeyDKOPUUOFUNASQP-SOFGYWHQSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds4

About (E)-3-methoxy-N-methylhex-3-en-2-amine

(E)-3-methoxy-N-methylhex-3-en-2-amine (PubChem CID 146312666) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-3-methoxy-N-methylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methoxy-N-methylhex-3-en-2-amine
PubChem CID146312666
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-3-methoxy-N-methylhex-3-en-2-amine
SMILESCC/C=C(/OC)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6-8(10-4)7(2)9-3/h6-7,9H,5H2,1-4H3/b8-6+
InChIKeyDKOPUUOFUNASQP-SOFGYWHQSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-N-methylhex-3-en-2-amine?
The IUPAC name of (E)-3-methoxy-N-methylhex-3-en-2-amine (CID 146312666) is (E)-3-methoxy-N-methylhex-3-en-2-amine.
What is the SMILES notation for (E)-3-methoxy-N-methylhex-3-en-2-amine?
The canonical SMILES for (E)-3-methoxy-N-methylhex-3-en-2-amine is CC/C=C(/OC)C(C)NC.
What is the InChIKey of (E)-3-methoxy-N-methylhex-3-en-2-amine?
The InChIKey is DKOPUUOFUNASQP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-8(10-4)7(2)9-3/h6-7,9H,5H2,1-4H3/b8-6+.
What are the key properties of (E)-3-methoxy-N-methylhex-3-en-2-amine?
(E)-3-methoxy-N-methylhex-3-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-N-methylhex-3-en-2-amine is sourced from PubChem (CID 146312666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).