(4-aminocyclohexyl) carbamate;hydrochloride

C7H15ClN2O2 — CID 174943880

IUPAC(4-aminocyclohexyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1CCC(N)CC1
InChIInChI=1S/C7H14N2O2.ClH/c8-5-1-3-6(4-2-5)11-7(9)10;/h5-6H,1-4,8H2,(H2,9,10);1H
InChIKeyLJLYFJRHHRZBTO-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.77
Rot. Bonds1

About (4-aminocyclohexyl) carbamate;hydrochloride

(4-aminocyclohexyl) carbamate;hydrochloride (PubChem CID 174943880) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (4-aminocyclohexyl) carbamate;hydrochloride.

Molecular Properties

Compound Name(4-aminocyclohexyl) carbamate;hydrochloride
PubChem CID174943880
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name(4-aminocyclohexyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1CCC(N)CC1
InChIInChI=1S/C7H14N2O2.ClH/c8-5-1-3-6(4-2-5)11-7(9)10;/h5-6H,1-4,8H2,(H2,9,10);1H
InChIKeyLJLYFJRHHRZBTO-UHFFFAOYSA-N
XLogP0.77
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-3-aminocyclopentyl] carbamate
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[(3S)-3-aminocyclopentyl] carbamate
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(4-propan-2-ylcyclohexyl) carbamate
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4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
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(4-oxocyclohexyl) carbamate
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2-(4-aminocyclohexyl)oxyacetamide
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(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
[(1S,3R)-3-fluorocyclopentyl] carbamate
CID 175108373
[4-(1-methylpiperidin-4-yl)cyclohexyl] carbamate
CID 175109270
4-aminocyclohexane-1-carboxamide;dihydrochloride
CID 89303150
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) carbamate;hydrochloride?
The IUPAC name of (4-aminocyclohexyl) carbamate;hydrochloride (CID 174943880) is (4-aminocyclohexyl) carbamate;hydrochloride.
What is the SMILES notation for (4-aminocyclohexyl) carbamate;hydrochloride?
The canonical SMILES for (4-aminocyclohexyl) carbamate;hydrochloride is Cl.NC(=O)OC1CCC(N)CC1.
What is the InChIKey of (4-aminocyclohexyl) carbamate;hydrochloride?
The InChIKey is LJLYFJRHHRZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c8-5-1-3-6(4-2-5)11-7(9)10;/h5-6H,1-4,8H2,(H2,9,10);1H.
What are the key properties of (4-aminocyclohexyl) carbamate;hydrochloride?
(4-aminocyclohexyl) carbamate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl) carbamate;hydrochloride is sourced from PubChem (CID 174943880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).