N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine

C12H23NO2 — CID 62382029

IUPACN-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine
SMILESCNC1CCCC1OCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-13-11-3-2-4-12(11)15-9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyPQMDEVWCQPPGFV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine

N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine (PubChem CID 62382029) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine
PubChem CID62382029
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine
SMILESCNC1CCCC1OCC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-13-11-3-2-4-12(11)15-9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3
InChIKeyPQMDEVWCQPPGFV-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine (CID 62382029) is N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine is CNC1CCCC1OCC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The InChIKey is PQMDEVWCQPPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13-11-3-2-4-12(11)15-9-10-5-7-14-8-6-10/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine?
N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine is sourced from PubChem (CID 62382029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).