[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol

C14H28N2O2 — CID 79571069

IUPAC[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
SMILESCC1CN(CCC2CCCC2(N)CO)CCCO1
InChIInChI=1S/C14H28N2O2/c1-12-10-16(7-3-9-18-12)8-5-13-4-2-6-14(13,15)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyWZPWSINUTMCYTM-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.98
Rot. Bonds4

About [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol (PubChem CID 79571069) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
PubChem CID79571069
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
SMILESCC1CN(CCC2CCCC2(N)CO)CCCO1
InChIInChI=1S/C14H28N2O2/c1-12-10-16(7-3-9-18-12)8-5-13-4-2-6-14(13,15)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyWZPWSINUTMCYTM-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
CID 79571817
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
ethyl 1-amino-2-[2-(2-methylmorpholin-4-yl)ethyl]cyclopentane-1-carboxylate
CID 79577577
[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 82767674
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
CID 64680158
2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol
CID 79564550
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol (CID 79571069) is [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol is CC1CN(CCC2CCCC2(N)CO)CCCO1.
What is the InChIKey of [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol?
The InChIKey is WZPWSINUTMCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-10-16(7-3-9-18-12)8-5-13-4-2-6-14(13,15)11-17/h12-13,17H,2-11,15H2,1H3.
What are the key properties of [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).