(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine

C20H21N — CID 174344768

IUPAC(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine
SMILESNCC1C=CC(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C20H21N/c21-15-19-12-11-18(13-16-7-3-1-4-8-16)20(19)14-17-9-5-2-6-10-17/h1-12,19H,13-15,21H2
InChIKeyIVGBJAZHTZDNRV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.91
Rot. Bonds5

About (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine

(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine (PubChem CID 174344768) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine
PubChem CID174344768
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine
SMILESNCC1C=CC(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C20H21N/c21-15-19-12-11-18(13-16-7-3-1-4-8-16)20(19)14-17-9-5-2-6-10-17/h1-12,19H,13-15,21H2
InChIKeyIVGBJAZHTZDNRV-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine?
The IUPAC name of (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine (CID 174344768) is (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine?
The canonical SMILES for (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine is NCC1C=CC(Cc2ccccc2)=C1Cc1ccccc1.
What is the InChIKey of (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine?
The InChIKey is IVGBJAZHTZDNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-15-19-12-11-18(13-16-7-3-1-4-8-16)20(19)14-17-9-5-2-6-10-17/h1-12,19H,13-15,21H2.
What are the key properties of (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine?
(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 174344768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).