2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide

C17H24N2O — CID 107842831

IUPAC2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O/c18-16-9-3-1-2-8-15(16)17(20)19-14-10-12-6-4-5-7-13(12)11-14/h4-7,14-16H,1-3,8-11,18H2,(H,19,20)
InChIKeyTZWSIXFLLVQPHE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide

2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide (PubChem CID 107842831) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide
PubChem CID107842831
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O/c18-16-9-3-1-2-8-15(16)17(20)19-14-10-12-6-4-5-7-13(12)11-14/h4-7,14-16H,1-3,8-11,18H2,(H,19,20)
InChIKeyTZWSIXFLLVQPHE-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119688069
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119734023
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107221860
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222294
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155941150
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide (CID 107842831) is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide?
The InChIKey is TZWSIXFLLVQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16-9-3-1-2-8-15(16)17(20)19-14-10-12-6-4-5-7-13(12)11-14/h4-7,14-16H,1-3,8-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide?
2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107842831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).