tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate

C17H32N2O4 — CID 174975403

IUPACtert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(C2(O)CCC(N)CC2)CC1
InChIInChI=1S/C17H32N2O4/c1-15(2,3)23-14(20)19-13-6-10-17(22,11-7-13)16(21)8-4-12(18)5-9-16/h12-13,21-22H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyLBIASLLZAJGTOZ-UHFFFAOYSA-N
MW328.45 g/mol
LogP1.82
Rot. Bonds2

About tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate

tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate (PubChem CID 174975403) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
PubChem CID174975403
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(C2(O)CCC(N)CC2)CC1
InChIInChI=1S/C17H32N2O4/c1-15(2,3)23-14(20)19-13-6-10-17(22,11-7-13)16(21)8-4-12(18)5-9-16/h12-13,21-22H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyLBIASLLZAJGTOZ-UHFFFAOYSA-N
XLogP1.82
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
4-amino-1-methylcyclohexan-1-ol;tert-butyl N-(4-hydroxy-4-methylcyclohexyl)carbamate;methane;2,2,2-trifluoroacetaldehyde
CID 157077703
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate (CID 174975403) is tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(O)(C2(O)CCC(N)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate?
The InChIKey is LBIASLLZAJGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-15(2,3)23-14(20)19-13-6-10-17(22,11-7-13)16(21)8-4-12(18)5-9-16/h12-13,21-22H,4-11,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 174975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).