N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine

C20H29N — CID 106653336

IUPACN-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C20H29N/c1-2-21-20(16-10-6-4-3-5-7-11-16)19-14-17-12-8-9-13-18(17)15-19/h8-10,12-13,19-21H,2-7,11,14-15H2,1H3/b16-10+
InChIKeyQHDYGWRPKQIJHQ-MHWRWJLKSA-N
MW283.46 g/mol
LogP4.66
Rot. Bonds4

About N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine

N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (PubChem CID 106653336) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
PubChem CID106653336
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C20H29N/c1-2-21-20(16-10-6-4-3-5-7-11-16)19-14-17-12-8-9-13-18(17)15-19/h8-10,12-13,19-21H,2-7,11,14-15H2,1H3/b16-10+
InChIKeyQHDYGWRPKQIJHQ-MHWRWJLKSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327
[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 106649088
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cyclohepten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 106657058
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850

Frequently Asked Questions

What is the IUPAC name of N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The IUPAC name of N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (CID 106653336) is N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is CCNC(/C1=C/CCCCCC1)C1Cc2ccccc2C1.
What is the InChIKey of N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The InChIKey is QHDYGWRPKQIJHQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H29N/c1-2-21-20(16-10-6-4-3-5-7-11-16)19-14-17-12-8-9-13-18(17)15-19/h8-10,12-13,19-21H,2-7,11,14-15H2,1H3/b16-10+.
What are the key properties of N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is sourced from PubChem (CID 106653336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).