4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine

C12H24N2O — CID 140515727

IUPAC4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine
SMILESCC(CCN)=C(C)OC(C)=C(C)CCN
InChIInChI=1S/C12H24N2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h5-8,13-14H2,1-4H3
InChIKeyAAOQSNDFGSSQRK-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds6

About 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine

4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine (PubChem CID 140515727) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine
PubChem CID140515727
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine
SMILESCC(CCN)=C(C)OC(C)=C(C)CCN
InChIInChI=1S/C12H24N2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h5-8,13-14H2,1-4H3
InChIKeyAAOQSNDFGSSQRK-UHFFFAOYSA-N
XLogP2.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine?
The IUPAC name of 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine (CID 140515727) is 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine.
What is the SMILES notation for 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine?
The canonical SMILES for 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine is CC(CCN)=C(C)OC(C)=C(C)CCN.
What is the InChIKey of 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine?
The InChIKey is AAOQSNDFGSSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(5-7-13)11(3)15-12(4)10(2)6-8-14/h5-8,13-14H2,1-4H3.
What are the key properties of 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine?
4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine is sourced from PubChem (CID 140515727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).