1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine

C19H35N — CID 18783356

IUPAC1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)(C)C1=C(C(C)(C)CC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C19H35N/c1-10-18(4,5)16-13-12-15(14(3)20(8)9)17(16)19(6,7)11-2/h12,14H,10-11,13H2,1-9H3
InChIKeyPYRKOBNUZYSSGH-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.44
Rot. Bonds6

About 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine

1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 18783356) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
PubChem CID18783356
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)(C)C1=C(C(C)(C)CC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C19H35N/c1-10-18(4,5)16-13-12-15(14(3)20(8)9)17(16)19(6,7)11-2/h12,14H,10-11,13H2,1-9H3
InChIKeyPYRKOBNUZYSSGH-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine (CID 18783356) is 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is CCC(C)(C)C1=C(C(C)(C)CC)C(C(C)N(C)C)=CC1.
What is the InChIKey of 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is PYRKOBNUZYSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-10-18(4,5)16-13-12-15(14(3)20(8)9)17(16)19(6,7)11-2/h12,14H,10-11,13H2,1-9H3.
What are the key properties of 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine?
1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 277.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(2-methylbutan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18783356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).