N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine

C12H21NO — CID 115908321

IUPACN-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine
SMILESCC1CC(NC2CC=CC2)CC(C)O1
InChIInChI=1S/C12H21NO/c1-9-7-12(8-10(2)14-9)13-11-5-3-4-6-11/h3-4,9-13H,5-8H2,1-2H3
InChIKeyCLHZEPXLPGOEKV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine

N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine (PubChem CID 115908321) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine
PubChem CID115908321
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine
SMILESCC1CC(NC2CC=CC2)CC(C)O1
InChIInChI=1S/C12H21NO/c1-9-7-12(8-10(2)14-9)13-11-5-3-4-6-11/h3-4,9-13H,5-8H2,1-2H3
InChIKeyCLHZEPXLPGOEKV-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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-2,6-dimethyloxan-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine (CID 115908321) is N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine is CC1CC(NC2CC=CC2)CC(C)O1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine?
The InChIKey is CLHZEPXLPGOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-7-12(8-10(2)14-9)13-11-5-3-4-6-11/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine?
N-cyclopent-3-en-1-yl-2,6-dimethyloxan-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 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-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 115908321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).