1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine

C18H29N — CID 115829005

IUPAC1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCC1(C(N)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H29N/c1-5-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,5-9,12,19H2,1-4H3
InChIKeyVUDGYVOIXQGCLC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.45
Rot. Bonds4

About 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115829005) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115829005
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCC1(C(N)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H29N/c1-5-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,5-9,12,19H2,1-4H3
InChIKeyVUDGYVOIXQGCLC-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115829005) is 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine is CCC1(C(N)Cc2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is VUDGYVOIXQGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-18(8-6-7-9-18)17(19)12-16-14(3)10-13(2)11-15(16)4/h10-11,17H,5-9,12,19H2,1-4H3.
What are the key properties of 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).