tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate

C18H36N2O2 — CID 107254500

IUPACtert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
SMILESCC(C)(C)CCNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H36N2O2/c1-17(2,3)11-12-19-15(14-9-7-8-10-14)13-20-16(21)22-18(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21)
InChIKeyQSDJUGHKUMDVTA-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.10
Rot. Bonds6

About tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate

tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate (PubChem CID 107254500) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
PubChem CID107254500
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
SMILESCC(C)(C)CCNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H36N2O2/c1-17(2,3)11-12-19-15(14-9-7-8-10-14)13-20-16(21)22-18(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21)
InChIKeyQSDJUGHKUMDVTA-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 106834314
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984
tert-butyl N-[(2R)-2-cyclopropyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]ethyl]carbamate
CID 124617896
tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
CID 106834316
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate (CID 107254500) is tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate is CC(C)(C)CCNC(CNC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate?
The InChIKey is QSDJUGHKUMDVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-17(2,3)11-12-19-15(14-9-7-8-10-14)13-20-16(21)22-18(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate?
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate is sourced from PubChem (CID 107254500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).