4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine

C10H19NO — CID 103986650

IUPAC4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CC1CCOC1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(11)6-9-3-4-12-7-9/h5,9-10H,3-4,6-7,11H2,1-2H3
InChIKeyPPGMDFHEHQGSKR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds3

About 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine

4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine (PubChem CID 103986650) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
PubChem CID103986650
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)CC1CCOC1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(11)6-9-3-4-12-7-9/h5,9-10H,3-4,6-7,11H2,1-2H3
InChIKeyPPGMDFHEHQGSKR-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
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 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine (CID 103986650) is 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine is CC(C)=CC(N)CC1CCOC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The InChIKey is PPGMDFHEHQGSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-10(11)6-9-3-4-12-7-9/h5,9-10H,3-4,6-7,11H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine is sourced from PubChem (CID 103986650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).