tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate

C18H36N2O3 — CID 107256973

IUPACtert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC1CC(C)CCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-14-7-8-15(2)16(13-14)19-9-10-20(11-12-22-6)17(21)23-18(3,4)5/h14-16,19H,7-13H2,1-6H3
InChIKeyNBSPKWIYBXEGOV-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.28
Rot. Bonds7

About tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 107256973) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate
PubChem CID107256973
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC1CC(C)CCC1C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-14-7-8-15(2)16(13-14)19-9-10-20(11-12-22-6)17(21)23-18(3,4)5/h14-16,19H,7-13H2,1-6H3
InChIKeyNBSPKWIYBXEGOV-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]carbamate
CID 103906269
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107256930
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256920
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
N-(2,5-dimethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 64776142
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
N-(2,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64761317
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
CID 103780871
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate (CID 107256973) is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate is COCCN(CCNC1CC(C)CCC1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is NBSPKWIYBXEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-14-7-8-15(2)16(13-14)19-9-10-20(11-12-22-6)17(21)23-18(3,4)5/h14-16,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 107256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).