benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate

C17H26N2O2 — CID 66569376

IUPACbenzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCCCC1NC
InChIInChI=1S/C17H26N2O2/c1-3-19(16-12-8-7-11-15(16)18-2)17(20)21-13-14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,3,7-8,11-13H2,1-2H3
InChIKeyIIVASKQQTWZDTG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate

benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate (PubChem CID 66569376) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
PubChem CID66569376
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCCCC1NC
InChIInChI=1S/C17H26N2O2/c1-3-19(16-12-8-7-11-15(16)18-2)17(20)21-13-14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,3,7-8,11-13H2,1-2H3
InChIKeyIIVASKQQTWZDTG-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
CID 96553859
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
CID 71733448
benzyl N-[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 70892372
benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
CID 68500864
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate (CID 66569376) is benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate is CCN(C(=O)OCc1ccccc1)C1CCCCC1NC.
What is the InChIKey of benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate?
The InChIKey is IIVASKQQTWZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(16-12-8-7-11-15(16)18-2)17(20)21-13-14-9-5-4-6-10-14/h4-6,9-10,15-16,18H,3,7-8,11-13H2,1-2H3.
What are the key properties of benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate?
benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate is sourced from PubChem (CID 66569376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).