(E)-5-methoxy-5-methylhept-3-en-2-amine

C9H19NO — CID 131248742

IUPAC(E)-5-methoxy-5-methylhept-3-en-2-amine
SMILESCCC(C)(/C=C/C(C)N)OC
InChIInChI=1S/C9H19NO/c1-5-9(3,11-4)7-6-8(2)10/h6-8H,5,10H2,1-4H3/b7-6+
InChIKeyUETOHOZNRZDESD-VOTSOKGWSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds4

About (E)-5-methoxy-5-methylhept-3-en-2-amine

(E)-5-methoxy-5-methylhept-3-en-2-amine (PubChem CID 131248742) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-5-methoxy-5-methylhept-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-methoxy-5-methylhept-3-en-2-amine
PubChem CID131248742
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-5-methoxy-5-methylhept-3-en-2-amine
SMILESCCC(C)(/C=C/C(C)N)OC
InChIInChI=1S/C9H19NO/c1-5-9(3,11-4)7-6-8(2)10/h6-8H,5,10H2,1-4H3/b7-6+
InChIKeyUETOHOZNRZDESD-VOTSOKGWSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-5-methylhept-3-en-2-amine?
The IUPAC name of (E)-5-methoxy-5-methylhept-3-en-2-amine (CID 131248742) is (E)-5-methoxy-5-methylhept-3-en-2-amine.
What is the SMILES notation for (E)-5-methoxy-5-methylhept-3-en-2-amine?
The canonical SMILES for (E)-5-methoxy-5-methylhept-3-en-2-amine is CCC(C)(/C=C/C(C)N)OC.
What is the InChIKey of (E)-5-methoxy-5-methylhept-3-en-2-amine?
The InChIKey is UETOHOZNRZDESD-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(3,11-4)7-6-8(2)10/h6-8H,5,10H2,1-4H3/b7-6+.
What are the key properties of (E)-5-methoxy-5-methylhept-3-en-2-amine?
(E)-5-methoxy-5-methylhept-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-5-methylhept-3-en-2-amine is sourced from PubChem (CID 131248742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).