1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

C19H27NO — CID 116614445

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESNCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H27NO/c20-14-19(9-2-1-3-10-19)13-18(21)12-15-7-8-16-5-4-6-17(16)11-15/h7-8,11H,1-6,9-10,12-14,20H2
InChIKeyHHOMOGGEGGKGFQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.59
Rot. Bonds5

About 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (PubChem CID 116614445) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
PubChem CID116614445
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESNCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H27NO/c20-14-19(9-2-1-3-10-19)13-18(21)12-15-7-8-16-5-4-6-17(16)11-15/h7-8,11H,1-6,9-10,12-14,20H2
InChIKeyHHOMOGGEGGKGFQ-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Deisopropylindecainide
CID 127612
3-Aminoethylestrone
CID 44152144
(3aS,9bS)-3a,8,9b-trimethyl-2,3,4,5-tetrahydrocyclopenta[a]naphthalen-1-one
CID 10977246
1-[1-(Aminomethyl)-4-methylcyclohexyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376678
1-[1-(Aminomethyl)cyclohexyl]-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376713
2-[1-(Aminomethyl)cyclohexyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883162
1-[1-(Aminomethyl)cyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 113570653
1-[1-(Aminomethyl)cyclohexyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 113709453
1-[1-(Aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
1-[1-(Aminomethyl)cyclohexyl]-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350536
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572916
1,1,3,3-tetramethyl-5-[(E)-alpha-methylstyryl]2-indanone
CID 14425607

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (CID 116614445) is 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is NCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The InChIKey is HHOMOGGEGGKGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-14-19(9-2-1-3-10-19)13-18(21)12-15-7-8-16-5-4-6-17(16)11-15/h7-8,11H,1-6,9-10,12-14,20H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one has a molecular weight of 285.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is sourced from PubChem (CID 116614445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).