1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine

C9H17N5 — CID 143696827

IUPAC1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine
SMILESCN(/C(N)=N/C(N)=N/C1CC1)C1CC1
InChIInChI=1S/C9H17N5/c1-14(7-4-5-7)9(11)13-8(10)12-6-2-3-6/h6-7H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyAYIYGBDYTNVYHQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.13
Rot. Bonds2

About 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine

1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine (PubChem CID 143696827) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine
PubChem CID143696827
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine
SMILESCN(/C(N)=N/C(N)=N/C1CC1)C1CC1
InChIInChI=1S/C9H17N5/c1-14(7-4-5-7)9(11)13-8(10)12-6-2-3-6/h6-7H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyAYIYGBDYTNVYHQ-UHFFFAOYSA-N
XLogP-0.13
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine (CID 143696827) is 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine is CN(/C(N)=N/C(N)=N/C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine?
The InChIKey is AYIYGBDYTNVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14(7-4-5-7)9(11)13-8(10)12-6-2-3-6/h6-7H,2-5H2,1H3,(H4,10,11,12,13).
What are the key properties of 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine?
1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine has a molecular weight of 195.27 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(N'-cyclopropylcarbamimidoyl)-1-methylguanidine is sourced from PubChem (CID 143696827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).