2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 82275992

IUPAC2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c2c(c1)NC(C)CC2N1CCCC1
InChIInChI=1S/C16H24N2/c1-11-8-12(2)16-14(9-11)17-13(3)10-15(16)18-6-4-5-7-18/h8-9,13,15,17H,4-7,10H2,1-3H3
InChIKeyVDJOWLMBVDXPII-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.64
Rot. Bonds1

About 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline

2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 82275992) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID82275992
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c2c(c1)NC(C)CC2N1CCCC1
InChIInChI=1S/C16H24N2/c1-11-8-12(2)16-14(9-11)17-13(3)10-15(16)18-6-4-5-7-18/h8-9,13,15,17H,4-7,10H2,1-3H3
InChIKeyVDJOWLMBVDXPII-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275995
2,6,7-trimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82276001
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850
6-ethyl-2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275946
2-methyl-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 115503382
4-(2,5,8-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275987
(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
CID 95427024
3-methyl-5-(2,4,6-trimethylphenyl)pyrazolidine
CID 78292069
2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine
CID 67835472
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
CID 171197280
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline (CID 82275992) is 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c2c(c1)NC(C)CC2N1CCCC1.
What is the InChIKey of 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is VDJOWLMBVDXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-8-12(2)16-14(9-11)17-13(3)10-15(16)18-6-4-5-7-18/h8-9,13,15,17H,4-7,10H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82275992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).