tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate

C18H34N2O2 — CID 107243716

IUPACtert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCC1CCCC(C)C1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-12-8-6-9-13(2)16(12)19-14-10-7-11-15(14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyRGTCJJBREKCWFE-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate (PubChem CID 107243716) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
PubChem CID107243716
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCC1CCCC(C)C1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-12-8-6-9-13(2)16(12)19-14-10-7-11-15(14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyRGTCJJBREKCWFE-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate (CID 107243716) is tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate is CC1CCCC(C)C1NC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate?
The InChIKey is RGTCJJBREKCWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12-8-6-9-13(2)16(12)19-14-10-7-11-15(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-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 107243716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).