(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine

C20H31N — CID 81391581

IUPAC(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCCCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-15(17-8-5-3-4-6-9-17)21-16(2)19-13-12-18-10-7-11-20(18)14-19/h12-17,21H,3-11H2,1-2H3/t15-,16?/m1/s1
InChIKeyVDXLRDPXSQXWFJ-AAFJCEBUSA-N
MW285.47 g/mol
LogP5.18
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine

(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine (PubChem CID 81391581) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
PubChem CID81391581
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCCCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H31N/c1-15(17-8-5-3-4-6-9-17)21-16(2)19-13-12-18-10-7-11-20(18)14-19/h12-17,21H,3-11H2,1-2H3/t15-,16?/m1/s1
InChIKeyVDXLRDPXSQXWFJ-AAFJCEBUSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine (CID 81391581) is (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine is CC(N[C@H](C)C1CCCCCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The InChIKey is VDXLRDPXSQXWFJ-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H31N/c1-15(17-8-5-3-4-6-9-17)21-16(2)19-13-12-18-10-7-11-20(18)14-19/h12-17,21H,3-11H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine has a molecular weight of 285.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81391581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).