(1-aminocyclohexyl) carbamate;hydrochloride

C7H15ClN2O2 — CID 143520361

IUPAC(1-aminocyclohexyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1(N)CCCCC1
InChIInChI=1S/C7H14N2O2.ClH/c8-6(10)11-7(9)4-2-1-3-5-7;/h1-5,9H2,(H2,8,10);1H
InChIKeyYCANJOKDPNQKRE-UHFFFAOYSA-N
MW194.66 g/mol
LogP1.12
Rot. Bonds1

About (1-aminocyclohexyl) carbamate;hydrochloride

(1-aminocyclohexyl) carbamate;hydrochloride (PubChem CID 143520361) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (1-aminocyclohexyl) carbamate;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl) carbamate;hydrochloride
PubChem CID143520361
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name(1-aminocyclohexyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1(N)CCCCC1
InChIInChI=1S/C7H14N2O2.ClH/c8-6(10)11-7(9)4-2-1-3-5-7;/h1-5,9H2,(H2,8,10);1H
InChIKeyYCANJOKDPNQKRE-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate
CID 67610798
(1-carbamoyloxycyclohexyl) methanesulfonate
CID 146454370
(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclopentane-1-carboxamide
CID 139066563
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
(1-hydroxycyclooctyl) acetate
CID 91039609
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
(1-cyclohexylcyclopentyl) acetate
CID 12039389
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl) carbamate;hydrochloride?
The IUPAC name of (1-aminocyclohexyl) carbamate;hydrochloride (CID 143520361) is (1-aminocyclohexyl) carbamate;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl) carbamate;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl) carbamate;hydrochloride is Cl.NC(=O)OC1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl) carbamate;hydrochloride?
The InChIKey is YCANJOKDPNQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c8-6(10)11-7(9)4-2-1-3-5-7;/h1-5,9H2,(H2,8,10);1H.
What are the key properties of (1-aminocyclohexyl) carbamate;hydrochloride?
(1-aminocyclohexyl) carbamate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl) carbamate;hydrochloride is sourced from PubChem (CID 143520361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).