tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate

C19H36N2O2 — CID 103695770

IUPACtert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)21-17-12-8-11-16(17)13-20-18(22)23-19(2,3)4/h14-17,21H,5-13H2,1-4H3,(H,20,22)
InChIKeyIKTPUTXZUQKJAV-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695770) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
PubChem CID103695770
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)21-17-12-8-11-16(17)13-20-18(22)23-19(2,3)4/h14-17,21H,5-13H2,1-4H3,(H,20,22)
InChIKeyIKTPUTXZUQKJAV-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate (CID 103695770) is tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is IKTPUTXZUQKJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)21-17-12-8-11-16(17)13-20-18(22)23-19(2,3)4/h14-17,21H,5-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).