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

C9H15N5 — CID 157387941

IUPAC1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/CC1=CCC=C1
InChIInChI=1S/C9H15N5/c1-12-8(10)14-9(11)13-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H5,10,11,12,13,14)
InChIKeyYZNPKAARELIUAV-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.28
Rot. Bonds2

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

1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine (PubChem CID 157387941) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine
PubChem CID157387941
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine
SMILESC/N=C(\N)N/C(N)=N/CC1=CCC=C1
InChIInChI=1S/C9H15N5/c1-12-8(10)14-9(11)13-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H5,10,11,12,13,14)
InChIKeyYZNPKAARELIUAV-UHFFFAOYSA-N
XLogP-0.28
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.28
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'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine?
The IUPAC name of 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine (CID 157387941) is 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine.
What is the SMILES notation for 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine?
The canonical SMILES for 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine is C/N=C(\N)N/C(N)=N/CC1=CCC=C1.
What is the InChIKey of 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine?
The InChIKey is YZNPKAARELIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-12-8(10)14-9(11)13-6-7-4-2-3-5-7/h2,4-5H,3,6H2,1H3,(H5,10,11,12,13,14).
What are the key properties of 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine?
1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine has a molecular weight of 193.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(cyclopenta-1,4-dien-1-ylmethyl)carbamimidoyl]-2-methylguanidine is sourced from PubChem (CID 157387941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).