ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate

C14H27NO2 — CID 177172278

IUPACethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
SMILESCCOC(=O)NC1CC(C)(C)CC(C)(CC)C1
InChIInChI=1S/C14H27NO2/c1-6-14(5)9-11(8-13(3,4)10-14)15-12(16)17-7-2/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyQKDDIJKJTJWKRB-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.73
Rot. Bonds3

About ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate

ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate (PubChem CID 177172278) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
PubChem CID177172278
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
SMILESCCOC(=O)NC1CC(C)(C)CC(C)(CC)C1
InChIInChI=1S/C14H27NO2/c1-6-14(5)9-11(8-13(3,4)10-14)15-12(16)17-7-2/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyQKDDIJKJTJWKRB-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
6-O-[2-[2-[3-[5-(ethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]propanoyloxy]ethoxy]ethyl] 1-O-ethyl hexanedioate
CID 159405637
ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 134386123
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
1-O'-[2-[[5-[2-(2-ethenyl-1-ethoxycarbonylcyclopropanecarbonyl)oxyethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]ethyl] 1-O-ethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 134240411
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
3-(dimethylamino)propyl N-[3-[[3-(dimethylamino)propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 156847292
2,2-difluoroethyl N-[3-(formamidomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 131993634
2-[[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 177065445
[3-[(dodecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 154014296

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The IUPAC name of ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate (CID 177172278) is ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate.
What is the SMILES notation for ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The canonical SMILES for ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate is CCOC(=O)NC1CC(C)(C)CC(C)(CC)C1.
What is the InChIKey of ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The InChIKey is QKDDIJKJTJWKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-14(5)9-11(8-13(3,4)10-14)15-12(16)17-7-2/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate has a molecular weight of 241.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate is sourced from PubChem (CID 177172278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).