2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C20H31N — CID 114457518

IUPAC2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H31N/c1-21-20(14-16-8-4-2-3-5-9-16)19-13-12-17-10-6-7-11-18(17)15-19/h12-13,15-16,20-21H,2-11,14H2,1H3
InChIKeyITLYGASVFUJQQE-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.19
Rot. Bonds4

About 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 114457518) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID114457518
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCNC(CC1CCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H31N/c1-21-20(14-16-8-4-2-3-5-9-16)19-13-12-17-10-6-7-11-18(17)15-19/h12-13,15-16,20-21H,2-11,14H2,1H3
InChIKeyITLYGASVFUJQQE-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
CID 114458692
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 114457518) is 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CNC(CC1CCCCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is ITLYGASVFUJQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-21-20(14-16-8-4-2-3-5-9-16)19-13-12-17-10-6-7-11-18(17)15-19/h12-13,15-16,20-21H,2-11,14H2,1H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 285.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 114457518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).