N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine

C19H31N — CID 107177395

IUPACN-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCC1C
InChIInChI=1S/C19H31N/c1-7-20-19(17-10-8-9-12(17)2)18-15(5)13(3)11-14(4)16(18)6/h11-12,17,19-20H,7-10H2,1-6H3
InChIKeyPXUVNIUHWWDVSM-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.01
Rot. Bonds4

About N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine

N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (PubChem CID 107177395) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
PubChem CID107177395
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCC1C
InChIInChI=1S/C19H31N/c1-7-20-19(17-10-8-9-12(17)2)18-15(5)13(3)11-14(4)16(18)6/h11-12,17,19-20H,7-10H2,1-6H3
InChIKeyPXUVNIUHWWDVSM-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[(1,1-dioxothiolan-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 64905159
2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107179634
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (CID 107177395) is N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is CCNC(c1c(C)c(C)cc(C)c1C)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The InChIKey is PXUVNIUHWWDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-7-20-19(17-10-8-9-12(17)2)18-15(5)13(3)11-14(4)16(18)6/h11-12,17,19-20H,7-10H2,1-6H3.
What are the key properties of N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107177395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).