1-methyl-2-(2-methylbut-2-enyl)piperidine

C11H21N — CID 91142338

IUPAC1-methyl-2-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CC1CCCCN1C
InChIInChI=1S/C11H21N/c1-4-10(2)9-11-7-5-6-8-12(11)3/h4,11H,5-9H2,1-3H3
InChIKeyNPCRCOBUMIUIRX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds2

About 1-methyl-2-(2-methylbut-2-enyl)piperidine

1-methyl-2-(2-methylbut-2-enyl)piperidine (PubChem CID 91142338) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-methyl-2-(2-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylbut-2-enyl)piperidine
PubChem CID91142338
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-methyl-2-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CC1CCCCN1C
InChIInChI=1S/C11H21N/c1-4-10(2)9-11-7-5-6-8-12(11)3/h4,11H,5-9H2,1-3H3
InChIKeyNPCRCOBUMIUIRX-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-ethyl-1-methylpiperidine
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ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
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1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
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1-methyl-2-(2-methylpropyl)azepane
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N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
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N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
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1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
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N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylbut-2-enyl)piperidine?
The IUPAC name of 1-methyl-2-(2-methylbut-2-enyl)piperidine (CID 91142338) is 1-methyl-2-(2-methylbut-2-enyl)piperidine.
What is the SMILES notation for 1-methyl-2-(2-methylbut-2-enyl)piperidine?
The canonical SMILES for 1-methyl-2-(2-methylbut-2-enyl)piperidine is CC=C(C)CC1CCCCN1C.
What is the InChIKey of 1-methyl-2-(2-methylbut-2-enyl)piperidine?
The InChIKey is NPCRCOBUMIUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-10(2)9-11-7-5-6-8-12(11)3/h4,11H,5-9H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylbut-2-enyl)piperidine?
1-methyl-2-(2-methylbut-2-enyl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylbut-2-enyl)piperidine is sourced from PubChem (CID 91142338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).