1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline

C14H23N — CID 67732764

IUPAC1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
SMILESCCN1C2=CC=CCC2C(C)CC1(C)C
InChIInChI=1S/C14H23N/c1-5-15-13-9-7-6-8-12(13)11(2)10-14(15,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3
InChIKeyQVPCLQZQGHXWCD-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.59
Rot. Bonds1

About 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline

1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline (PubChem CID 67732764) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline.

Molecular Properties

Compound Name1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
PubChem CID67732764
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
SMILESCCN1C2=CC=CCC2C(C)CC1(C)C
InChIInChI=1S/C14H23N/c1-5-15-13-9-7-6-8-12(13)11(2)10-14(15,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3
InChIKeyQVPCLQZQGHXWCD-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The IUPAC name of 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline (CID 67732764) is 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline.
What is the SMILES notation for 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The canonical SMILES for 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline is CCN1C2=CC=CCC2C(C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
The InChIKey is QVPCLQZQGHXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-15-13-9-7-6-8-12(13)11(2)10-14(15,3)4/h6-7,9,11-12H,5,8,10H2,1-4H3.
What are the key properties of 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline?
1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline has a molecular weight of 205.34 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline is sourced from PubChem (CID 67732764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).