1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine

C20H31N — CID 81033022

IUPAC1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H31N/c1-3-15-7-10-19(14-21-2)20(11-15)13-16-8-9-17-5-4-6-18(17)12-16/h8-9,12,15,19-21H,3-7,10-11,13-14H2,1-2H3
InChIKeyPJMFIYIHXKLMIH-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.38
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 81033022) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID81033022
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H31N/c1-3-15-7-10-19(14-21-2)20(11-15)13-16-8-9-17-5-4-6-18(17)12-16/h8-9,12,15,19-21H,3-7,10-11,13-14H2,1-2H3
InChIKeyPJMFIYIHXKLMIH-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
CID 81012326
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81027505
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine (CID 81033022) is 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is PJMFIYIHXKLMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-15-7-10-19(14-21-2)20(11-15)13-16-8-9-17-5-4-6-18(17)12-16/h8-9,12,15,19-21H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 285.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81033022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).