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

C11H23ClN2O2 — CID 2756049

IUPACtert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/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);1H
InChIKeyOYMZHXKUCQETTB-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.20
Rot. Bonds1

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

tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride (PubChem CID 2756049) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride
PubChem CID2756049
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/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);1H
InChIKeyOYMZHXKUCQETTB-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-cyclohexylcarbamate
CID 300728
4-(N-Boc-amino)piperidine
CID 723833
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
N-BOC-1,6-diaminohexane
CID 2733170
Cis tert-Butyl 4-aminocyclohexylcarbamate
CID 2756050
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
Tert-butyl {2-[(cyclohexylcarbamoyl)amino]ethyl}carbamate
CID 11140668
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine
CID 1514390
tert-butyl N-[(1S,2S)-2-aminocyclohexyl]carbamate
CID 1514391
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate
CID 1501972
tert-butyl N-{[(2S)-piperidin-2-yl]methyl}carbamate
CID 1501973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride (CID 2756049) is tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride?
The InChIKey is OYMZHXKUCQETTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/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);1H.
What are the key properties of tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride?
tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.20, 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;hydrochloride is sourced from PubChem (CID 2756049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).