tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate

C16H32N2O2 — CID 103698959

IUPACtert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
SMILESCCN(CCNC1CCCC(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-18(15(19)20-16(3,4)5)11-10-17-14-9-7-8-13(2)12-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXWSQNHBSXRMKQX-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate (PubChem CID 103698959) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
PubChem CID103698959
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
SMILESCCN(CCNC1CCCC(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-18(15(19)20-16(3,4)5)11-10-17-14-9-7-8-13(2)12-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXWSQNHBSXRMKQX-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-ethyl-N-[2-[(3,3,5-trimethylcyclohexyl)amino]ethyl]carbamate
CID 107245391
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
tert-butyl N-[2-[(3-methylcyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245712

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate (CID 103698959) is tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate is CCN(CCNC1CCCC(C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate?
The InChIKey is XWSQNHBSXRMKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-18(15(19)20-16(3,4)5)11-10-17-14-9-7-8-13(2)12-14/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate is sourced from PubChem (CID 103698959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).