2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine

C19H40N2 — CID 156743098

IUPAC2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
SMILESCN1CCC(C(C)(C)C)C1.CN1CCCCC1C(C)(C)C
InChIInChI=1S/C10H21N.C9H19N/c1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyKLCFXVBAXHUXFN-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.50
Rot. Bonds

About 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine

2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine (PubChem CID 156743098) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
PubChem CID156743098
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
SMILESCN1CCC(C(C)(C)C)C1.CN1CCCCC1C(C)(C)C
InChIInChI=1S/C10H21N.C9H19N/c1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyKLCFXVBAXHUXFN-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
bis(tert-butylcyclohexane);bis(tert-butylcyclopentane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;(2R)-2-tert-butyl-1-methylpyrrolidine;(2S)-2-tert-butyl-1-methylpyrrolidine;bis(1-tert-butylpiperidine);methane
CID 159296584
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
2-tert-butyl-4-fluoro-1-methylpiperidine;2-tert-butyl-5-fluoro-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine
CID 159548459
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 166075678
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
CID 58834330
2-methyl-2-[(2S)-1-methylpiperidin-2-yl]propanoic acid
CID 66889115
2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine?
The IUPAC name of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine (CID 156743098) is 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine?
The canonical SMILES for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine is CN1CCC(C(C)(C)C)C1.CN1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine?
The InChIKey is KLCFXVBAXHUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N/c1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine?
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine has a molecular weight of 296.54 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine is sourced from PubChem (CID 156743098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).