2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

C22H42N2 — CID 23295305

IUPAC2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(CCN(C)C)C(CCN(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C22H42N2/c1-15(2)20-18(11-13-23(7)8)19(12-14-24(9)10)21(16(3)4)22(20)17(5)6/h15-18H,11-14H2,1-10H3
InChIKeyUJQHBVMUWJNHKT-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.08
Rot. Bonds9

About 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine

2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 23295305) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID23295305
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(CCN(C)C)C(CCN(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C22H42N2/c1-15(2)20-18(11-13-23(7)8)19(12-14-24(9)10)21(16(3)4)22(20)17(5)6/h15-18H,11-14H2,1-10H3
InChIKeyUJQHBVMUWJNHKT-UHFFFAOYSA-N
XLogP5.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 23295305) is 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=C(CCN(C)C)C(CCN(C)C)C(C(C)C)=C1C(C)C.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is UJQHBVMUWJNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-15(2)20-18(11-13-23(7)8)19(12-14-24(9)10)21(16(3)4)22(20)17(5)6/h15-18H,11-14H2,1-10H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 334.59 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23295305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).