tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate

C18H34N2O2 — CID 107243980

IUPACtert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
SMILESCC1CCCC(C)C1NCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-12-7-6-8-13(2)16(12)19-11-15(14-9-10-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeySMIDUMZPUNHUHR-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate (PubChem CID 107243980) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
PubChem CID107243980
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
SMILESCC1CCCC(C)C1NCC(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-12-7-6-8-13(2)16(12)19-11-15(14-9-10-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeySMIDUMZPUNHUHR-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
CID 107244035
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
CID 103905910
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)amino]-1-cyclopropylethyl]carbamate
CID 103872239
tert-butyl N-[1-cyclopropyl-2-[(3,3-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107244003
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
CID 103905930
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
CID 107244030
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[1-cyclopropyl-2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethyl]carbamate
CID 103905921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate (CID 107243980) is tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate is CC1CCCC(C)C1NCC(NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate?
The InChIKey is SMIDUMZPUNHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12-7-6-8-13(2)16(12)19-11-15(14-9-10-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate is sourced from PubChem (CID 107243980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).