tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate

C18H34N2O2 — CID 103719843

IUPACtert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCCC1CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-5-13-6-8-14(9-7-13)19-15-10-11-16(12-15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyIGLWABBQXHHOKR-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate (PubChem CID 103719843) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
PubChem CID103719843
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCCC1CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-5-13-6-8-14(9-7-13)19-15-10-11-16(12-15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyIGLWABBQXHHOKR-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate (CID 103719843) is tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate is CCC1CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The InChIKey is IGLWABBQXHHOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-13-6-8-14(9-7-13)19-15-10-11-16(12-15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 103719843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).