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

C22H42N2 — CID 23295315

IUPAC1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)N(C)C)C(C(C)N(C)C)=C1C(C)C
InChIInChI=1S/C22H42N2/c1-13(2)18-19(14(3)4)21(16(7)23(9)10)22(17(8)24(11)12)20(18)15(5)6/h13-17,21H,1-12H3
InChIKeyLRVHHIDJFPYWQV-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.08
Rot. Bonds7

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

1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 23295315) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID23295315
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)N(C)C)C(C(C)N(C)C)=C1C(C)C
InChIInChI=1S/C22H42N2/c1-13(2)18-19(14(3)4)21(16(7)23(9)10)22(17(8)24(11)12)20(18)15(5)6/h13-17,21H,1-12H3
InChIKeyLRVHHIDJFPYWQV-UHFFFAOYSA-N
XLogP5.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine (CID 23295315) is 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is CC(C)C1=C(C(C)C)C(C(C)N(C)C)C(C(C)N(C)C)=C1C(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is LRVHHIDJFPYWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-13(2)18-19(14(3)4)21(16(7)23(9)10)22(17(8)24(11)12)20(18)15(5)6/h13-17,21H,1-12H3.
What are the key properties of 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine?
1-[2-[1-(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, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)ethyl]-3,4,5-tri(propan-2-yl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 23295315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).