1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine

C17H19N3 — CID 101432266

IUPAC1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine
SMILESC1=CC(CN=C(NC2C=CC=C2)NC2C=CC=C2)C=C1
InChIInChI=1S/C17H19N3/c1-2-8-14(7-1)13-18-17(19-15-9-3-4-10-15)20-16-11-5-6-12-16/h1-12,14-16H,13H2,(H2,18,19,20)
InChIKeyQDYWDRVNIOGLHG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds4

About 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine

1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine (PubChem CID 101432266) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine
PubChem CID101432266
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine
SMILESC1=CC(CN=C(NC2C=CC=C2)NC2C=CC=C2)C=C1
InChIInChI=1S/C17H19N3/c1-2-8-14(7-1)13-18-17(19-15-9-3-4-10-15)20-16-11-5-6-12-16/h1-12,14-16H,13H2,(H2,18,19,20)
InChIKeyQDYWDRVNIOGLHG-UHFFFAOYSA-N
XLogP2.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)
CID 164523944
1,2,3-Tris(cyclopenta-2,4-dien-1-ylmethyl)guanidine
CID 101487295
2-Cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
CID 132937874

Frequently Asked Questions

What is the IUPAC name of 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine?
The IUPAC name of 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine (CID 101432266) is 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine.
What is the SMILES notation for 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine?
The canonical SMILES for 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine is C1=CC(CN=C(NC2C=CC=C2)NC2C=CC=C2)C=C1.
What is the InChIKey of 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine?
The InChIKey is QDYWDRVNIOGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-8-14(7-1)13-18-17(19-15-9-3-4-10-15)20-16-11-5-6-12-16/h1-12,14-16H,13H2,(H2,18,19,20).
What are the key properties of 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine?
1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine has a molecular weight of 265.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine is sourced from PubChem (CID 101432266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).