1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide

C13H27IN4 — CID 110030010

IUPAC1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
SMILESCCC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-3-11(17-8-4-5-9-17)10-15-13(14)16(2)12-6-7-12;/h11-12H,3-10H2,1-2H3,(H2,14,15);1H
InChIKeyJVEATJNAEAUEBP-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.89
Rot. Bonds5

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

1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide (PubChem CID 110030010) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
PubChem CID110030010
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
SMILESCCC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-3-11(17-8-4-5-9-17)10-15-13(14)16(2)12-6-7-12;/h11-12H,3-10H2,1-2H3,(H2,14,15);1H
InChIKeyJVEATJNAEAUEBP-UHFFFAOYSA-N
XLogP1.89
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.89
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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Related Compounds

1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 86788006
1,1-diethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055102
1-cyclopropyl-2-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-methylguanidine
CID 99853931
1-cyclopropyl-1-methyl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032359
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
CID 110029751
1-cyclopropyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029451
1-cyclopropyl-1-methyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110030013
1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055087
1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
CID 110029374
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
1-cyclopropyl-1-methyl-2-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]guanidine;hydroiodide
CID 110030458

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide (CID 110030010) is 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide is CCC(C/N=C(\N)N(C)C1CC1)N1CCCC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide?
The InChIKey is JVEATJNAEAUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-3-11(17-8-4-5-9-17)10-15-13(14)16(2)12-6-7-12;/h11-12H,3-10H2,1-2H3,(H2,14,15);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.89, 5 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-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 110030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).