tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate

C17H32N2O3 — CID 103715573

IUPACtert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-14-9-7-13(8-10-14)18-11-12-5-4-6-15(12)20/h12-15,18,20H,4-11H2,1-3H3,(H,19,21)
InChIKeySKGUCRICKHVJIY-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate (PubChem CID 103715573) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
PubChem CID103715573
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-14-9-7-13(8-10-14)18-11-12-5-4-6-15(12)20/h12-15,18,20H,4-11H2,1-3H3,(H,19,21)
InChIKeySKGUCRICKHVJIY-UHFFFAOYSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate (CID 103715573) is tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2CCCC2O)CC1.
What is the InChIKey of tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate?
The InChIKey is SKGUCRICKHVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)19-14-9-7-13(8-10-14)18-11-12-5-4-6-15(12)20/h12-15,18,20H,4-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).