3-methyl-3-(oxan-3-yl)cyclopentan-1-amine

C11H21NO — CID 107137841

IUPAC3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
SMILESCC1(C2CCCOC2)CCC(N)C1
InChIInChI=1S/C11H21NO/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h9-10H,2-8,12H2,1H3
InChIKeyGDYSCQBMBQNDQA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds1

About 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine

3-methyl-3-(oxan-3-yl)cyclopentan-1-amine (PubChem CID 107137841) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
PubChem CID107137841
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
SMILESCC1(C2CCCOC2)CCC(N)C1
InChIInChI=1S/C11H21NO/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h9-10H,2-8,12H2,1H3
InChIKeyGDYSCQBMBQNDQA-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine (CID 107137841) is 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine is CC1(C2CCCOC2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine?
The InChIKey is GDYSCQBMBQNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine?
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 107137841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).