1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine

C13H27N3 — CID 110029374

IUPAC1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
SMILESCCCCC(CC)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C13H27N3/c1-4-6-7-11(5-2)10-15-13(14)16(3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUZNFHIOTFBULDK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.61
Rot. Bonds7

About 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine

1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine (PubChem CID 110029374) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
PubChem CID110029374
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
SMILESCCCCC(CC)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C13H27N3/c1-4-6-7-11(5-2)10-15-13(14)16(3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUZNFHIOTFBULDK-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
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-(2-ethylhexyl)-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine (CID 110029374) is 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine is CCCCC(CC)C/N=C(\N)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine?
The InChIKey is UZNFHIOTFBULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-6-7-11(5-2)10-15-13(14)16(3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine?
1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine has a molecular weight of 225.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine is sourced from PubChem (CID 110029374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).