1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine

C12H21N — CID 13494917

IUPAC1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1(C)CC=C(N2CCCC2)CC1
InChIInChI=1S/C12H21N/c1-12(2)7-5-11(6-8-12)13-9-3-4-10-13/h5H,3-4,6-10H2,1-2H3
InChIKeyGSSRATVPVQOGGE-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.18
Rot. Bonds1

About 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine

1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine (PubChem CID 13494917) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine
PubChem CID13494917
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine
SMILESCC1(C)CC=C(N2CCCC2)CC1
InChIInChI=1S/C12H21N/c1-12(2)7-5-11(6-8-12)13-9-3-4-10-13/h5H,3-4,6-10H2,1-2H3
InChIKeyGSSRATVPVQOGGE-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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine (CID 13494917) is 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine is CC1(C)CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine?
The InChIKey is GSSRATVPVQOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)7-5-11(6-8-12)13-9-3-4-10-13/h5H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexen-1-yl)pyrrolidine?
1-(4,4-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-(4,4-dimethylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 13494917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).