tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate

C16H32N2O3 — CID 66091560

IUPACtert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(CCO)CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(8-9-19)10-17-14-7-5-6-13(14)11-18-15(20)21-16(2,3)4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyIJKQKJYBIXCGHI-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.29
Rot. Bonds7

About tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 66091560) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
PubChem CID66091560
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(CCO)CNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(8-9-19)10-17-14-7-5-6-13(14)11-18-15(20)21-16(2,3)4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20)
InChIKeyIJKQKJYBIXCGHI-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
CID 107251414
tert-butyl N-[[2-[(2-ethyl-4-hydroxybutyl)amino]cyclopentyl]methyl]carbamate
CID 103747891
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
CID 103947617
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate (CID 66091560) is tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate is CC(CCO)CNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is IJKQKJYBIXCGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(8-9-19)10-17-14-7-5-6-13(14)11-18-15(20)21-16(2,3)4/h12-14,17,19H,5-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 66091560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).