1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine

C12H21N — CID 100947708

IUPAC1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)C(C)CCC1
InChIInChI=1S/C12H21N/c1-10-6-5-7-11(2)12(10)13-8-3-4-9-13/h10H,3-9H2,1-2H3
InChIKeyNFKLKMMFKNTPJD-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.18
Rot. Bonds1

About 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine

1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine (PubChem CID 100947708) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine
PubChem CID100947708
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2CCCC2)C(C)CCC1
InChIInChI=1S/C12H21N/c1-10-6-5-7-11(2)12(10)13-8-3-4-9-13/h10H,3-9H2,1-2H3
InChIKeyNFKLKMMFKNTPJD-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(2-methyl-1-cyclohexen-1-yl)-
CID 12218076
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-[(6R)-6-propan-2-ylcyclohexen-1-yl]pyrrolidine
CID 134863432
1-(2,6,6-Trimethylcyclohexen-1-yl)pyrrolidine
CID 134863459
2,5-Dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
CID 134992735
(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
CID 134996456
Pyrrolidine, N-(menth-3-en-3-yl)-
CID 606013
1-(2,6-Dimethylcyclohexen-1-yl)azetidine
CID 15686732
1-(6-Ethylcyclohexen-1-yl)pyrrolidine
CID 102116981
1-(3-Methylcyclohexen-1-yl)pyrrolidine
CID 12475968
1-(2-Methylcyclopenten-1-yl)pyrrolidine
CID 13184318
1-(2-Methylcyclohepten-1-yl)pyrrolidine
CID 18985247

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine (CID 100947708) is 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine is CC1=C(N2CCCC2)C(C)CCC1.
What is the InChIKey of 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine?
The InChIKey is NFKLKMMFKNTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-6-5-7-11(2)12(10)13-8-3-4-9-13/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine?
1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 100947708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).