N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine

C15H30N2O — CID 79565836

IUPACN-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-3-16-15-7-4-6-14(15)8-10-17-9-5-11-18-13(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyXVXOYANCPYASJM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine (PubChem CID 79565836) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine
PubChem CID79565836
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-3-16-15-7-4-6-14(15)8-10-17-9-5-11-18-13(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyXVXOYANCPYASJM-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine (CID 79565836) is N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN1CCCOC(C)C1.
What is the InChIKey of N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine?
The InChIKey is XVXOYANCPYASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15-7-4-6-14(15)8-10-17-9-5-11-18-13(2)12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79565836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).