2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine

C15H28N2O2 — CID 120914013

IUPAC2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
SMILESC1COCC(CNC2CCCC2C2COCCN2)C1
InChIInChI=1S/C15H28N2O2/c1-4-13(15-11-19-8-6-16-15)14(5-1)17-9-12-3-2-7-18-10-12/h12-17H,1-11H2
InChIKeyXTHYHLXANAFHFR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.16
Rot. Bonds4

About 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine

2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine (PubChem CID 120914013) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
PubChem CID120914013
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
SMILESC1COCC(CNC2CCCC2C2COCCN2)C1
InChIInChI=1S/C15H28N2O2/c1-4-13(15-11-19-8-6-16-15)14(5-1)17-9-12-3-2-7-18-10-12/h12-17H,1-11H2
InChIKeyXTHYHLXANAFHFR-UHFFFAOYSA-N
XLogP1.16
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine (CID 120914013) is 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine is C1COCC(CNC2CCCC2C2COCCN2)C1.
What is the InChIKey of 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is XTHYHLXANAFHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-13(15-11-19-8-6-16-15)14(5-1)17-9-12-3-2-7-18-10-12/h12-17H,1-11H2.
What are the key properties of 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 120914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).