tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate

C15H30N2O3 — CID 107243876

IUPACtert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
SMILESCC(NC1CCCC1NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H30N2O3/c1-10(15(5,6)19)16-11-8-7-9-12(11)17-13(18)20-14(2,3)4/h10-12,16,19H,7-9H2,1-6H3,(H,17,18)
InChIKeyJJXDUYLNVQRHCO-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate (PubChem CID 107243876) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
PubChem CID107243876
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
SMILESCC(NC1CCCC1NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H30N2O3/c1-10(15(5,6)19)16-11-8-7-9-12(11)17-13(18)20-14(2,3)4/h10-12,16,19H,7-9H2,1-6H3,(H,17,18)
InChIKeyJJXDUYLNVQRHCO-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769
tert-butyl N-[2-(3-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 107243823
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate (CID 107243876) is tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate is CC(NC1CCCC1NC(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate?
The InChIKey is JJXDUYLNVQRHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(15(5,6)19)16-11-8-7-9-12(11)17-13(18)20-14(2,3)4/h10-12,16,19H,7-9H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 107243876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).