N-cyclopent-3-en-1-yl-2-methyloxan-4-amine

C11H19NO — CID 115898597

IUPACN-cyclopent-3-en-1-yl-2-methyloxan-4-amine
SMILESCC1CC(NC2CC=CC2)CCO1
InChIInChI=1S/C11H19NO/c1-9-8-11(6-7-13-9)12-10-4-2-3-5-10/h2-3,9-12H,4-8H2,1H3
InChIKeyAOAFEPWVLSBSJJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2-methyloxan-4-amine

N-cyclopent-3-en-1-yl-2-methyloxan-4-amine (PubChem CID 115898597) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-methyloxan-4-amine
PubChem CID115898597
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclopent-3-en-1-yl-2-methyloxan-4-amine
SMILESCC1CC(NC2CC=CC2)CCO1
InChIInChI=1S/C11H19NO/c1-9-8-11(6-7-13-9)12-10-4-2-3-5-10/h2-3,9-12H,4-8H2,1H3
InChIKeyAOAFEPWVLSBSJJ-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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 N-cyclopent-3-en-1-yl-2-methyloxan-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2-methyloxan-4-amine (CID 115898597) is N-cyclopent-3-en-1-yl-2-methyloxan-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-methyloxan-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-methyloxan-4-amine is CC1CC(NC2CC=CC2)CCO1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-methyloxan-4-amine?
The InChIKey is AOAFEPWVLSBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-8-11(6-7-13-9)12-10-4-2-3-5-10/h2-3,9-12H,4-8H2,1H3.
What are the key properties of N-cyclopent-3-en-1-yl-2-methyloxan-4-amine?
N-cyclopent-3-en-1-yl-2-methyloxan-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-methyloxan-4-amine is sourced from PubChem (CID 115898597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).