3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole

C18H34N2 — CID 159354506

IUPAC3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole
SMILESCCC(C)C1CCNC1C.Cc1cc[nH]c1CC(C)C
InChIInChI=1S/C9H15N.C9H19N/c1-7(2)6-9-8(3)4-5-10-9;1-4-7(2)9-5-6-10-8(9)3/h4-5,7,10H,6H2,1-3H3;7-10H,4-6H2,1-3H3
InChIKeyLHTHLAISUCXPNX-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.55
Rot. Bonds4

About 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole

3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole (PubChem CID 159354506) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole.

Molecular Properties

Compound Name3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole
PubChem CID159354506
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole
SMILESCCC(C)C1CCNC1C.Cc1cc[nH]c1CC(C)C
InChIInChI=1S/C9H15N.C9H19N/c1-7(2)6-9-8(3)4-5-10-9;1-4-7(2)9-5-6-10-8(9)3/h4-5,7,10H,6H2,1-3H3;7-10H,4-6H2,1-3H3
InChIKeyLHTHLAISUCXPNX-UHFFFAOYSA-N
XLogP4.55
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 131002347
2-methyl-3-[(E)-3-methylpent-3-en-2-yl]pyrrolidine
CID 139459057
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
2-benzyl-3-(4-methylpentan-2-yl)pyrrolidine
CID 114201132
4-butan-2-yl-3-(3-methylphenyl)piperidine
CID 79441756
3-butan-2-yl-1-[(3,4-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870557
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
2-methyl-3-(2-methylpropyl)pyrrolidine
CID 62354199
1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
CID 90723847
N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
CID 79389006
(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 146131125
3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818311

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole?
The IUPAC name of 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole (CID 159354506) is 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole.
What is the SMILES notation for 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole?
The canonical SMILES for 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole is CCC(C)C1CCNC1C.Cc1cc[nH]c1CC(C)C.
What is the InChIKey of 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole?
The InChIKey is LHTHLAISUCXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C9H19N/c1-7(2)6-9-8(3)4-5-10-9;1-4-7(2)9-5-6-10-8(9)3/h4-5,7,10H,6H2,1-3H3;7-10H,4-6H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole?
3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole has a molecular weight of 278.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methylpyrrolidine;3-methyl-2-(2-methylpropyl)-1H-pyrrole is sourced from PubChem (CID 159354506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).