4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride

C16H23ClN2O2 — CID 120920314

IUPAC4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCc3ccccc32)CCOCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-11-16(7-9-20-10-8-16)15(19)18-14-6-5-12-3-1-2-4-13(12)14;/h1-4,14H,5-11,17H2,(H,18,19);1H
InChIKeyZLUBEWJGALCWCY-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.97
Rot. Bonds3

About 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120920314) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120920314
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCc3ccccc32)CCOCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-11-16(7-9-20-10-8-16)15(19)18-14-6-5-12-3-1-2-4-13(12)14;/h1-4,14H,5-11,17H2,(H,18,19);1H
InChIKeyZLUBEWJGALCWCY-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
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CID 120936384
4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
CID 120930354
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
N-(2,3-dihydro-1H-inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619174
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 115447459
4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
CID 120925257
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819
[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
CID 120930453
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride (CID 120920314) is 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CCc3ccccc32)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is ZLUBEWJGALCWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c17-11-16(7-9-20-10-8-16)15(19)18-14-6-5-12-3-1-2-4-13(12)14;/h1-4,14H,5-11,17H2,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).