1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine

C23H40N2 — CID 143728465

IUPAC1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine
SMILESCCC(C)C(N(C)C)C1(C2C=CC(C)C2)CCN2CC=CC(CC)C21
InChIInChI=1S/C23H40N2/c1-7-18(4)21(24(5)6)23(20-12-11-17(3)16-20)13-15-25-14-9-10-19(8-2)22(23)25/h9-12,17-22H,7-8,13-16H2,1-6H3
InChIKeyYMGSCMTXWUAANJ-UHFFFAOYSA-N
MW344.59 g/mol
LogP4.83
Rot. Bonds6

About 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine

1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine (PubChem CID 143728465) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine
PubChem CID143728465
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine
SMILESCCC(C)C(N(C)C)C1(C2C=CC(C)C2)CCN2CC=CC(CC)C21
InChIInChI=1S/C23H40N2/c1-7-18(4)21(24(5)6)23(20-12-11-17(3)16-20)13-15-25-14-9-10-19(8-2)22(23)25/h9-12,17-22H,7-8,13-16H2,1-6H3
InChIKeyYMGSCMTXWUAANJ-UHFFFAOYSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine?
The IUPAC name of 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine (CID 143728465) is 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine?
The canonical SMILES for 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine is CCC(C)C(N(C)C)C1(C2C=CC(C)C2)CCN2CC=CC(CC)C21.
What is the InChIKey of 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine?
The InChIKey is YMGSCMTXWUAANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-7-18(4)21(24(5)6)23(20-12-11-17(3)16-20)13-15-25-14-9-10-19(8-2)22(23)25/h9-12,17-22H,7-8,13-16H2,1-6H3.
What are the key properties of 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine?
1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine has a molecular weight of 344.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-ethyl-1-(4-methylcyclopent-2-en-1-yl)-3,5,8,8a-tetrahydro-2H-indolizin-1-yl]-N,N,2-trimethylbutan-1-amine is sourced from PubChem (CID 143728465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).