2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine

C18H36N2 — CID 64861206

IUPAC2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3
InChIKeyFEXPFFBUVRBWGK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine

2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine (PubChem CID 64861206) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
PubChem CID64861206
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3
InChIKeyFEXPFFBUVRBWGK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
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(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
6,9-Diazaspiro[4.5]decane
CID 18975279
(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine
CID 24792590
(1-Piperidin-1-Ylcyclopentyl)Methylamine
CID 24708164
3-Isobutyl-1-methylpiperazine
CID 64833232
[2-(4-Methylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293357
{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
rac-((2R,4S)-4-methylpiperidin-2-yl)methanamine
CID 124575153
N-[(2S)-2-ethylhexyl]-1-propan-2-ylpiperidin-4-amine
CID 28650119

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine (CID 64861206) is 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine is CCC(C)C1CNC(CC)(CC)CN1CC1CCCC1.
What is the InChIKey of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The InChIKey is FEXPFFBUVRBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine is sourced from PubChem (CID 64861206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).