1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane

C13H20N2 — CID 162296136

IUPAC1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC1C2CCC(C)(C2)N1c1cccn1C
InChIInChI=1S/C13H20N2/c1-10-11-6-7-13(2,9-11)15(10)12-5-4-8-14(12)3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyAKBNWKDRGZVQKM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.79
Rot. Bonds1

About 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane

1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 162296136) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID162296136
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC1C2CCC(C)(C2)N1c1cccn1C
InChIInChI=1S/C13H20N2/c1-10-11-6-7-13(2,9-11)15(10)12-5-4-8-14(12)3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyAKBNWKDRGZVQKM-UHFFFAOYSA-N
XLogP2.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane
CID 162296004
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
3-methyl-3-(1-methylimidazol-2-yl)cyclopentan-1-amine
CID 116538901
1-(1-methylpyrrol-2-yl)piperazine
CID 96740431
(2R)-2,4-dimethyl-6-[1-methyl-5-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrol-2-yl]-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane
CID 137454785
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-(1-methylpyrrol-2-yl)cyclopropan-1-amine
CID 82593854
1-methyl-2-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrrole
CID 125458224
1-methyl-2-[(1S,6R)-spiro[7-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-1-yl]pyrrole
CID 125457819
[(1S,2R)-2-hydroxy-2-methylcyclohexyl]-(1-methylpyrrol-2-yl)methanone
CID 101221371
5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine
CID 130806282
2-(1-methylpyrrol-2-yl)cyclopropan-1-amine
CID 102547908

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane (CID 162296136) is 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane is CC1C2CCC(C)(C2)N1c1cccn1C.
What is the InChIKey of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is AKBNWKDRGZVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-11-6-7-13(2,9-11)15(10)12-5-4-8-14(12)3/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane?
1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 204.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162296136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).