(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone

C12H22N2O2 — CID 82767352

IUPAC(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
SMILESCC1(C(=O)N2CCCOCC2)CCCC1N
InChIInChI=1S/C12H22N2O2/c1-12(5-2-4-10(12)13)11(15)14-6-3-8-16-9-7-14/h10H,2-9,13H2,1H3
InChIKeyDGLYWYXDJOYALF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds1

About (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone

(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 82767352) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID82767352
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
SMILESCC1(C(=O)N2CCCOCC2)CCCC1N
InChIInChI=1S/C12H22N2O2/c1-12(5-2-4-10(12)13)11(15)14-6-3-8-16-9-7-14/h10H,2-9,13H2,1H3
InChIKeyDGLYWYXDJOYALF-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
CID 82765902
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
1-(2-amino-1-methylcyclopentanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 82763485
1-(2-amino-1-methylcyclopentanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82767712
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
CID 82765009
(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220062
3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 82768558
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone (CID 82767352) is (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone is CC1(C(=O)N2CCCOCC2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is DGLYWYXDJOYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-2-4-10(12)13)11(15)14-6-3-8-16-9-7-14/h10H,2-9,13H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone?
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 82767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).