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

C12H24N2O — CID 87848481

IUPAC3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine
SMILESCC(C)=C(OC(=C(C)C)C(C)N)C(C)N
InChIInChI=1S/C12H24N2O/c1-7(2)11(9(5)13)15-12(8(3)4)10(6)14/h9-10H,13-14H2,1-6H3
InChIKeyCPNFPJQYQSEWIA-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds4

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

3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine (PubChem CID 87848481) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine
PubChem CID87848481
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine
SMILESCC(C)=C(OC(=C(C)C)C(C)N)C(C)N
InChIInChI=1S/C12H24N2O/c1-7(2)11(9(5)13)15-12(8(3)4)10(6)14/h9-10H,13-14H2,1-6H3
InChIKeyCPNFPJQYQSEWIA-UHFFFAOYSA-N
XLogP2.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine?
The IUPAC name of 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine (CID 87848481) is 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine.
What is the SMILES notation for 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine?
The canonical SMILES for 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine is CC(C)=C(OC(=C(C)C)C(C)N)C(C)N.
What is the InChIKey of 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine?
The InChIKey is CPNFPJQYQSEWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7(2)11(9(5)13)15-12(8(3)4)10(6)14/h9-10H,13-14H2,1-6H3.
What are the key properties of 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine?
3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylpent-2-en-3-yl)oxy-4-methylpent-3-en-2-amine is sourced from PubChem (CID 87848481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).