1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine

C10H17N5 — CID 157340921

IUPAC1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyJOGBDAYBSICGGG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.40
Rot. Bonds3

About 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine

1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine (PubChem CID 157340921) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine
PubChem CID157340921
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyJOGBDAYBSICGGG-UHFFFAOYSA-N
XLogP0.40
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine (CID 157340921) is 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine is [H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1.
What is the InChIKey of 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine?
The InChIKey is JOGBDAYBSICGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14).
What are the key properties of 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine?
1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine has a molecular weight of 207.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine is sourced from PubChem (CID 157340921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).