benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate

C23H36N2O2 — CID 123141717

IUPACbenzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate
SMILESNC1CCCCC1CCNC1CCCCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C23H36N2O2/c24-21-12-6-4-10-19(21)14-15-25-22-13-7-5-11-20(22)16-23(26)27-17-18-8-2-1-3-9-18/h1-3,8-9,19-22,25H,4-7,10-17,24H2
InChIKeyDHHWKKXKHZHHDX-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.18
Rot. Bonds8

About benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate

benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate (PubChem CID 123141717) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate
PubChem CID123141717
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Namebenzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate
SMILESNC1CCCCC1CCNC1CCCCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C23H36N2O2/c24-21-12-6-4-10-19(21)14-15-25-22-13-7-5-11-20(22)16-23(26)27-17-18-8-2-1-3-9-18/h1-3,8-9,19-22,25H,4-7,10-17,24H2
InChIKeyDHHWKKXKHZHHDX-UHFFFAOYSA-N
XLogP4.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate
CID 123352734
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
CID 58062979
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-[(3S)-3-amino-2-oxocyclopentyl]acetate;hydrochloride
CID 70023874
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate?
The IUPAC name of benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate (CID 123141717) is benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate.
What is the SMILES notation for benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate?
The canonical SMILES for benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate is NC1CCCCC1CCNC1CCCCC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate?
The InChIKey is DHHWKKXKHZHHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c24-21-12-6-4-10-19(21)14-15-25-22-13-7-5-11-20(22)16-23(26)27-17-18-8-2-1-3-9-18/h1-3,8-9,19-22,25H,4-7,10-17,24H2.
What are the key properties of benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate?
benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate has a molecular weight of 372.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate is sourced from PubChem (CID 123141717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).