bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride

C21H41ClN2O3 — CID 141089357

IUPACbis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
SMILESCCN(CCOC(=O)OCCN(CC)C1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C21H40N2O3.ClH/c1-3-22(19-11-7-5-8-12-19)15-17-25-21(24)26-18-16-23(4-2)20-13-9-6-10-14-20;/h19-20H,3-18H2,1-2H3;1H
InChIKeyFTOZGXZTRZZGFX-UHFFFAOYSA-N
MW405.02 g/mol
LogP4.87
Rot. Bonds10

About bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride

bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride (PubChem CID 141089357) has the molecular formula C21H41ClN2O3 and a molecular weight of 405.02 g/mol. Its IUPAC name is bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride.

Molecular Properties

Compound Namebis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
PubChem CID141089357
Molecular FormulaC21H41ClN2O3
Molecular Weight405.02 g/mol
Exact Mass404.28
IUPAC Namebis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
SMILESCCN(CCOC(=O)OCCN(CC)C1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C21H40N2O3.ClH/c1-3-22(19-11-7-5-8-12-19)15-17-25-21(24)26-18-16-23(4-2)20-13-9-6-10-14-20;/h19-20H,3-18H2,1-2H3;1H
InChIKeyFTOZGXZTRZZGFX-UHFFFAOYSA-N
XLogP4.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.02
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628
3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
CID 54512392
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
N,N-diethylcycloundecanamine
CID 163828609
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
methyl 2-amino-4-[cyclopentyl(ethyl)amino]butanoate
CID 63027486
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
CID 169177393
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220

Frequently Asked Questions

What is the IUPAC name of bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride?
The IUPAC name of bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride (CID 141089357) is bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride.
What is the SMILES notation for bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride?
The canonical SMILES for bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride is CCN(CCOC(=O)OCCN(CC)C1CCCCC1)C1CCCCC1.Cl.
What is the InChIKey of bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride?
The InChIKey is FTOZGXZTRZZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3.ClH/c1-3-22(19-11-7-5-8-12-19)15-17-25-21(24)26-18-16-23(4-2)20-13-9-6-10-14-20;/h19-20H,3-18H2,1-2H3;1H.
What are the key properties of bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride?
bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride has a molecular weight of 405.02 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride is sourced from PubChem (CID 141089357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).