1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

C15H31IN4 — CID 86788006

IUPAC1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCC(C)CC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16)18(3)13-6-7-13;/h12-14H,4-11H2,1-3H3,(H2,16,17);1H
InChIKeyMLTQYIXFVLTBTN-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (PubChem CID 86788006) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
PubChem CID86788006
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCC(C)CC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16)18(3)13-6-7-13;/h12-14H,4-11H2,1-3H3,(H2,16,17);1H
InChIKeyMLTQYIXFVLTBTN-UHFFFAOYSA-N
XLogP2.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (CID 86788006) is 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is CC(C)CC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The InChIKey is MLTQYIXFVLTBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-12(2)10-14(19-8-4-5-9-19)11-17-15(16)18(3)13-6-7-13;/h12-14H,4-11H2,1-3H3,(H2,16,17);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 86788006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).