(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine

C11H23NO — CID 174331391

IUPAC(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine
SMILESCCC(OC/C=C/C(C)N)C(C)C
InChIInChI=1S/C11H23NO/c1-5-11(9(2)3)13-8-6-7-10(4)12/h6-7,9-11H,5,8,12H2,1-4H3/b7-6+
InChIKeyLCOOGHDMXDFBSR-VOTSOKGWSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds6

About (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine

(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine (PubChem CID 174331391) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine
PubChem CID174331391
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine
SMILESCCC(OC/C=C/C(C)N)C(C)C
InChIInChI=1S/C11H23NO/c1-5-11(9(2)3)13-8-6-7-10(4)12/h6-7,9-11H,5,8,12H2,1-4H3/b7-6+
InChIKeyLCOOGHDMXDFBSR-VOTSOKGWSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
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-(2-methylpentan-3-yloxy)pent-3-en-2-amine?
The IUPAC name of (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine (CID 174331391) is (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine.
What is the SMILES notation for (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine?
The canonical SMILES for (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine is CCC(OC/C=C/C(C)N)C(C)C.
What is the InChIKey of (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine?
The InChIKey is LCOOGHDMXDFBSR-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(9(2)3)13-8-6-7-10(4)12/h6-7,9-11H,5,8,12H2,1-4H3/b7-6+.
What are the key properties of (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine?
(E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methylpentan-3-yloxy)pent-3-en-2-amine is sourced from PubChem (CID 174331391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).