1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine

C10H17N5 — CID 157340922

IUPAC1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/CCC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15)
InChIKeyGWXIAVLPZBSWHH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.11
Rot. Bonds3

About 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine

1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine (PubChem CID 157340922) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine
PubChem CID157340922
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/CCC1=CCC=C1
InChIInChI=1S/C10H17N5/c1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15)
InChIKeyGWXIAVLPZBSWHH-UHFFFAOYSA-N
XLogP0.11
TPSA88.79 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 ≤ 50.11
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-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine?
The IUPAC name of 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine (CID 157340922) is 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine.
What is the SMILES notation for 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine?
The canonical SMILES for 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine is C/N=C(\N)N/C(N)=N/CCC1=CCC=C1.
What is the InChIKey of 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine?
The InChIKey is GWXIAVLPZBSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8/h2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15).
What are the key properties of 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine?
1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine has a molecular weight of 207.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine is sourced from PubChem (CID 157340922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).