tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate

C18H34N2O2 — CID 107245182

IUPACtert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
SMILESCN(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20(7)11-10-19-14-17(4,5)13-8-9-18(14,6)12-13/h13-14,19H,8-12H2,1-7H3/t13-,14?,18+/m0/s1
InChIKeyBTHJSFRAOSLQKO-IXRXBBNISA-N
MW310.48 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate (PubChem CID 107245182) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
PubChem CID107245182
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
SMILESCN(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20(7)11-10-19-14-17(4,5)13-8-9-18(14,6)12-13/h13-14,19H,8-12H2,1-7H3/t13-,14?,18+/m0/s1
InChIKeyBTHJSFRAOSLQKO-IXRXBBNISA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate 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

tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
CID 107237375
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 115400176
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate (CID 107245182) is tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate is CN(CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The InChIKey is BTHJSFRAOSLQKO-IXRXBBNISA-N. The full InChI is InChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20(7)11-10-19-14-17(4,5)13-8-9-18(14,6)12-13/h13-14,19H,8-12H2,1-7H3/t13-,14?,18+/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate is sourced from PubChem (CID 107245182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).