tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride

C11H24Cl2N2O2 — CID 140801985

IUPACtert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;;/h8-9H,4-7,12H2,1-3H3,(H,13,14);2*1H
InChIKeyXXHJDCKCQKHBMK-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride (PubChem CID 140801985) has the molecular formula C11H24Cl2N2O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
PubChem CID140801985
Molecular FormulaC11H24Cl2N2O2
Molecular Weight287.23 g/mol
Exact Mass286.12
IUPAC Nametert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;;/h8-9H,4-7,12H2,1-3H3,(H,13,14);2*1H
InChIKeyXXHJDCKCQKHBMK-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
4-aminocyclohexan-1-ol;tert-butyl N-(4-hydroxycyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160880979
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride?
The IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride (CID 140801985) is tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride.
What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride?
The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride is CC(C)(C)OC(=O)NC1CCC(N)CC1.Cl.Cl.
What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride?
The InChIKey is XXHJDCKCQKHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2ClH/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;;/h8-9H,4-7,12H2,1-3H3,(H,13,14);2*1H.
What are the key properties of tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride?
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride is sourced from PubChem (CID 140801985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).