tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate

C17H32N2O3 — CID 103082835

IUPACtert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
SMILESCOC1CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-13-7-5-12(6-8-13)18-14-9-10-15(11-14)21-4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyGLVWAECSZUJLCY-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate (PubChem CID 103082835) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
PubChem CID103082835
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
SMILESCOC1CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-13-7-5-12(6-8-13)18-14-9-10-15(11-14)21-4/h12-15,18H,5-11H2,1-4H3,(H,19,20)
InChIKeyGLVWAECSZUJLCY-UHFFFAOYSA-N
XLogP2.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
CID 103785646
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate (CID 103082835) is tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate is COC1CCC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate?
The InChIKey is GLVWAECSZUJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-13-7-5-12(6-8-13)18-14-9-10-15(11-14)21-4/h12-15,18H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103082835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).