2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride

C12H19ClN2O2 — CID 71643901

IUPAC2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.NC1CCC(NCC(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O2.ClH/c13-9-3-5-10(6-4-9)14-8-11(15)12-2-1-7-16-12;/h1-2,7,9-10,14H,3-6,8,13H2;1H
InChIKeyHKARHMXPXWYOEH-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.74
Rot. Bonds4

About 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride

2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride (PubChem CID 71643901) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
PubChem CID71643901
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.NC1CCC(NCC(=O)c2ccco2)CC1
InChIInChI=1S/C12H18N2O2.ClH/c13-9-3-5-10(6-4-9)14-8-11(15)12-2-1-7-16-12;/h1-2,7,9-10,14H,3-6,8,13H2;1H
InChIKeyHKARHMXPXWYOEH-UHFFFAOYSA-N
XLogP1.74
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone
CID 71643902
2-[(4-aminocyclohexyl)amino]-1-phenylethanone
CID 54572830
2-(3-aminocyclopentyl)-1-(furan-2-yl)ethanone
CID 130719938
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165702
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165678
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride (CID 71643901) is 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride is Cl.NC1CCC(NCC(=O)c2ccco2)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride?
The InChIKey is HKARHMXPXWYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c13-9-3-5-10(6-4-9)14-8-11(15)12-2-1-7-16-12;/h1-2,7,9-10,14H,3-6,8,13H2;1H.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride?
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).