2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C16H22N2O — CID 81167866

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C16H22N2O/c17-11-16(7-2-8-16)10-15(19)18-14-6-5-12-3-1-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,17H2,(H,18,19)
InChIKeyRPFHXZVFWVUSFL-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 81167866) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID81167866
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C16H22N2O/c17-11-16(7-2-8-16)10-15(19)18-14-6-5-12-3-1-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,17H2,(H,18,19)
InChIKeyRPFHXZVFWVUSFL-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 81167866) is 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is NCC1(CC(=O)Nc2ccc3c(c2)CCC3)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is RPFHXZVFWVUSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-11-16(7-2-8-16)10-15(19)18-14-6-5-12-3-1-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,17H2,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 81167866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).