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

C20H33N — CID 63508117

IUPACN-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCCCC1
InChIInChI=1S/C20H33N/c1-6-21-20(18-11-9-7-8-10-12-18)19-16(4)14(2)13-15(3)17(19)5/h13,18,20-21H,6-12H2,1-5H3
InChIKeyHKFFZVQTYRYYPO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.54
Rot. Bonds4

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

N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (PubChem CID 63508117) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
PubChem CID63508117
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)c(C)cc(C)c1C)C1CCCCCC1
InChIInChI=1S/C20H33N/c1-6-21-20(18-11-9-7-8-10-12-18)19-16(4)14(2)13-15(3)17(19)5/h13,18,20-21H,6-12H2,1-5H3
InChIKeyHKFFZVQTYRYYPO-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 114980821
N-[(1,1-dioxothiolan-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 64905159
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine (CID 63508117) is N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is CCNC(c1c(C)c(C)cc(C)c1C)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
The InChIKey is HKFFZVQTYRYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-21-20(18-11-9-7-8-10-12-18)19-16(4)14(2)13-15(3)17(19)5/h13,18,20-21H,6-12H2,1-5H3.
What are the key properties of N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine?
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine is sourced from PubChem (CID 63508117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).