5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine

C12H24N2O — CID 142680920

IUPAC5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine
SMILESCC(=COC=C(C)CC(C)N)CC(C)N
InChIInChI=1S/C12H24N2O/c1-9(5-11(3)13)7-15-8-10(2)6-12(4)14/h7-8,11-12H,5-6,13-14H2,1-4H3
InChIKeyKOLUDSKBIOWPGR-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds6

About 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine

5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine (PubChem CID 142680920) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine
PubChem CID142680920
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine
SMILESCC(=COC=C(C)CC(C)N)CC(C)N
InChIInChI=1S/C12H24N2O/c1-9(5-11(3)13)7-15-8-10(2)6-12(4)14/h7-8,11-12H,5-6,13-14H2,1-4H3
InChIKeyKOLUDSKBIOWPGR-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 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine?
The IUPAC name of 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine (CID 142680920) is 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine.
What is the SMILES notation for 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine?
The canonical SMILES for 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine is CC(=COC=C(C)CC(C)N)CC(C)N.
What is the InChIKey of 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine?
The InChIKey is KOLUDSKBIOWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(5-11(3)13)7-15-8-10(2)6-12(4)14/h7-8,11-12H,5-6,13-14H2,1-4H3.
What are the key properties of 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine?
5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-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 5-(4-amino-2-methylpent-1-enoxy)-4-methylpent-4-en-2-amine is sourced from PubChem (CID 142680920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).