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

C12H21N3 — CID 132937874

IUPAC2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NC1C=CC=C1)NC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-12(14-10(3)4)15-11-7-5-6-8-11/h5-11H,1-4H3,(H2,13,14,15)
InChIKeyFSFCUAMMDWYFJD-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.83
Rot. Bonds3

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

2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine (PubChem CID 132937874) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
PubChem CID132937874
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NC1C=CC=C1)NC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-12(14-10(3)4)15-11-7-5-6-8-11/h5-11H,1-4H3,(H2,13,14,15)
InChIKeyFSFCUAMMDWYFJD-UHFFFAOYSA-N
XLogP1.83
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.83
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

1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
N-[(E)-4-methylpent-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052226
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
CID 121420147
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole;ethane
CID 143686131
1-Cyclohepta-1,4,6-trien-1-yl-3-ethyl-1,2-dimethylguanidine
CID 146532026
N-[(Z)-hex-3-en-2-yl]-N'-methylmethanimidamide
CID 156048566
cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)
CID 164523944
1-[(E)-pent-2-enyl]-N-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 169970166

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine (CID 132937874) is 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine is CC(C)NC(=NC1C=CC=C1)NC(C)C.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine?
The InChIKey is FSFCUAMMDWYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)13-12(14-10(3)4)15-11-7-5-6-8-11/h5-11H,1-4H3,(H2,13,14,15).
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine?
2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine has a molecular weight of 207.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 132937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).