2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

C13H26N2O — CID 62988805

IUPAC2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(7-4-8-16-11)13(9-14)12-5-2-3-6-12/h11-13H,2-10,14H2,1H3
InChIKeyXEBGZIBWCXBOHK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (PubChem CID 62988805) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
PubChem CID62988805
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(7-4-8-16-11)13(9-14)12-5-2-3-6-12/h11-13H,2-10,14H2,1H3
InChIKeyXEBGZIBWCXBOHK-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (CID 62988805) is 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is CC1CN(C(CN)C2CCCC2)CCCO1.
What is the InChIKey of 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The InChIKey is XEBGZIBWCXBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-10-15(7-4-8-16-11)13(9-14)12-5-2-3-6-12/h11-13H,2-10,14H2,1H3.
What are the key properties of 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 62988805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).