1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine

C24H48N2 — CID 142367378

IUPAC1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine
SMILESCCC1CCC(C(C)C(C)C(C)C(C)(C)C(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C24H48N2/c1-10-21-11-12-22(17-21)19(3)18(2)20(4)23(5,6)24(7,8)26-15-13-25(9)14-16-26/h18-22H,10-17H2,1-9H3
InChIKeyIVEUAEBGZVPYSJ-UHFFFAOYSA-N
MW364.66 g/mol
LogP5.77
Rot. Bonds7

About 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine

1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine (PubChem CID 142367378) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine
PubChem CID142367378
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine
SMILESCCC1CCC(C(C)C(C)C(C)C(C)(C)C(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C24H48N2/c1-10-21-11-12-22(17-21)19(3)18(2)20(4)23(5,6)24(7,8)26-15-13-25(9)14-16-26/h18-22H,10-17H2,1-9H3
InChIKeyIVEUAEBGZVPYSJ-UHFFFAOYSA-N
XLogP5.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine (CID 142367378) is 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine is CCC1CCC(C(C)C(C)C(C)C(C)(C)C(C)(C)N2CCN(C)CC2)C1.
What is the InChIKey of 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine?
The InChIKey is IVEUAEBGZVPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-10-21-11-12-22(17-21)19(3)18(2)20(4)23(5,6)24(7,8)26-15-13-25(9)14-16-26/h18-22H,10-17H2,1-9H3.
What are the key properties of 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine?
1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine has a molecular weight of 364.66 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-ethylcyclopentyl)-2,3,3,4,5-pentamethylheptan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142367378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).