cyclohexyl 2-aminocyclohexane-1-carboxylate

C13H23NO2 — CID 64816672

IUPACcyclohexyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OC1CCCCC1
InChIInChI=1S/C13H23NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h10-12H,1-9,14H2
InChIKeyKVIFQIZRHCOAPJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.38
Rot. Bonds2

About cyclohexyl 2-aminocyclohexane-1-carboxylate

cyclohexyl 2-aminocyclohexane-1-carboxylate (PubChem CID 64816672) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclohexyl 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-aminocyclohexane-1-carboxylate
PubChem CID64816672
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclohexyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OC1CCCCC1
InChIInChI=1S/C13H23NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h10-12H,1-9,14H2
InChIKeyKVIFQIZRHCOAPJ-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxycyclohexyl) 2-aminocyclohexane-1-carboxylate
CID 64818037
carbamoyl 2-aminocyclohexane-1-carboxylate
CID 91289585
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate
CID 64815702
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
cyclooctyl cyclooctanecarboxylate
CID 57160377
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-aminocyclohexane-1-carboxylate?
The IUPAC name of cyclohexyl 2-aminocyclohexane-1-carboxylate (CID 64816672) is cyclohexyl 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for cyclohexyl 2-aminocyclohexane-1-carboxylate is NC1CCCCC1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-aminocyclohexane-1-carboxylate?
The InChIKey is KVIFQIZRHCOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h10-12H,1-9,14H2.
What are the key properties of cyclohexyl 2-aminocyclohexane-1-carboxylate?
cyclohexyl 2-aminocyclohexane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64816672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).