cyclopentylmethyl 1-aminocycloheptane-1-carboxylate

C14H25NO2 — CID 66321581

IUPACcyclopentylmethyl 1-aminocycloheptane-1-carboxylate
SMILESNC1(C(=O)OCC2CCCC2)CCCCCC1
InChIInChI=1S/C14H25NO2/c15-14(9-5-1-2-6-10-14)13(16)17-11-12-7-3-4-8-12/h12H,1-11,15H2
InChIKeyAFXYYIOYUQQOBX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.77
Rot. Bonds3

About cyclopentylmethyl 1-aminocycloheptane-1-carboxylate

cyclopentylmethyl 1-aminocycloheptane-1-carboxylate (PubChem CID 66321581) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cyclopentylmethyl 1-aminocycloheptane-1-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 1-aminocycloheptane-1-carboxylate
PubChem CID66321581
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecyclopentylmethyl 1-aminocycloheptane-1-carboxylate
SMILESNC1(C(=O)OCC2CCCC2)CCCCCC1
InChIInChI=1S/C14H25NO2/c15-14(9-5-1-2-6-10-14)13(16)17-11-12-7-3-4-8-12/h12H,1-11,15H2
InChIKeyAFXYYIOYUQQOBX-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216614
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
cyclohexylmethyl 2-oxoacetate
CID 174782114
2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
CID 146470372
cycloheptylmethyl N-methylcarbamate
CID 57322822
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 1-aminocycloheptane-1-carboxylate?
The IUPAC name of cyclopentylmethyl 1-aminocycloheptane-1-carboxylate (CID 66321581) is cyclopentylmethyl 1-aminocycloheptane-1-carboxylate.
What is the SMILES notation for cyclopentylmethyl 1-aminocycloheptane-1-carboxylate?
The canonical SMILES for cyclopentylmethyl 1-aminocycloheptane-1-carboxylate is NC1(C(=O)OCC2CCCC2)CCCCCC1.
What is the InChIKey of cyclopentylmethyl 1-aminocycloheptane-1-carboxylate?
The InChIKey is AFXYYIOYUQQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-14(9-5-1-2-6-10-14)13(16)17-11-12-7-3-4-8-12/h12H,1-11,15H2.
What are the key properties of cyclopentylmethyl 1-aminocycloheptane-1-carboxylate?
cyclopentylmethyl 1-aminocycloheptane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 1-aminocycloheptane-1-carboxylate is sourced from PubChem (CID 66321581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).