1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine

C15H29NO — CID 155794078

IUPAC1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
SMILESCN1CCCC1C1(COC(C)(C)C)CCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-12-15(9-5-6-10-15)13-8-7-11-16(13)4/h13H,5-12H2,1-4H3
InChIKeyRXICELQDKDHJPU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.46
Rot. Bonds3

About 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine

1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine (PubChem CID 155794078) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
PubChem CID155794078
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
SMILESCN1CCCC1C1(COC(C)(C)C)CCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-12-15(9-5-6-10-15)13-8-7-11-16(13)4/h13H,5-12H2,1-4H3
InChIKeyRXICELQDKDHJPU-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,7aR)-4a-(ethoxymethyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 170572243
(4aS,7aR)-4a-(disulfanyloxymethyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 175614429
1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794049
(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
CID 171415775
[1-(1-methylpiperidin-2-yl)cyclohexyl]methanamine
CID 153195636
[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
CID 170564055
2-(1-methoxycyclopropyl)-1-methylpyrrolidine
CID 168995708
1-(1-methylpyrrolidin-2-yl)cyclohexan-1-amine
CID 115074075
1-(1-methylpyrrolidin-2-yl)cyclopropan-1-amine
CID 84648581
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334915
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794114

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine (CID 155794078) is 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine is CN1CCCC1C1(COC(C)(C)C)CCCC1.
What is the InChIKey of 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
The InChIKey is RXICELQDKDHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)17-12-15(9-5-6-10-15)13-8-7-11-16(13)4/h13H,5-12H2,1-4H3.
What are the key properties of 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine?
1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine is sourced from PubChem (CID 155794078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).