1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

C20H37N — CID 18783337

IUPAC1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCCC(C)(CC)C1=C(C(C)(CC)CC)C(CN(C)C)=CC1
InChIInChI=1S/C20H37N/c1-9-19(5,10-2)17-14-13-16(15-21(7)8)18(17)20(6,11-3)12-4/h13H,9-12,14-15H2,1-8H3
InChIKeyMPVZYRDKFZYSST-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.83
Rot. Bonds8

About 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 18783337) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID18783337
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCCC(C)(CC)C1=C(C(C)(CC)CC)C(CN(C)C)=CC1
InChIInChI=1S/C20H37N/c1-9-19(5,10-2)17-14-13-16(15-21(7)8)18(17)20(6,11-3)12-4/h13H,9-12,14-15H2,1-8H3
InChIKeyMPVZYRDKFZYSST-UHFFFAOYSA-N
XLogP5.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.83
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(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (CID 18783337) is 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is CCC(C)(CC)C1=C(C(C)(CC)CC)C(CN(C)C)=CC1.
What is the InChIKey of 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is MPVZYRDKFZYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-9-19(5,10-2)17-14-13-16(15-21(7)8)18(17)20(6,11-3)12-4/h13H,9-12,14-15H2,1-8H3.
What are the key properties of 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 291.52 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 18783337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).