cyclohexylmethyl 2-aminocyclohexane-1-carboxylate

C14H25NO2 — CID 64817458

IUPACcyclohexylmethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCC1CCCCC1
InChIInChI=1S/C14H25NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h11-13H,1-10,15H2
InChIKeyCYWGVRXCYOZJSZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.63
Rot. Bonds3

About cyclohexylmethyl 2-aminocyclohexane-1-carboxylate

cyclohexylmethyl 2-aminocyclohexane-1-carboxylate (PubChem CID 64817458) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cyclohexylmethyl 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 2-aminocyclohexane-1-carboxylate
PubChem CID64817458
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecyclohexylmethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCC1CCCCC1
InChIInChI=1S/C14H25NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h11-13H,1-10,15H2
InChIKeyCYWGVRXCYOZJSZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptylmethyl 4-aminooxolane-3-carboxylate
CID 114248590
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
cis-1-O-butyl 2-O-(cyclohexylmethyl) (1R,2S)-cyclohexane-1,2-dicarboxylate
CID 124680446
cis-1-O-butyl 2-O-(cyclohexylmethyl) (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 124680449
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
2-O-(cyclohexylmethyl) 1-O-(4-methylpentyl) cyclohexane-1,2-dicarboxylate
CID 91721825
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
carbamoyl 2-aminocyclohexane-1-carboxylate
CID 91289585
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-aminocyclohexane-1-carboxylate?
The IUPAC name of cyclohexylmethyl 2-aminocyclohexane-1-carboxylate (CID 64817458) is cyclohexylmethyl 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexylmethyl 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for cyclohexylmethyl 2-aminocyclohexane-1-carboxylate is NC1CCCCC1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-aminocyclohexane-1-carboxylate?
The InChIKey is CYWGVRXCYOZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h11-13H,1-10,15H2.
What are the key properties of cyclohexylmethyl 2-aminocyclohexane-1-carboxylate?
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).