1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide

C16H27IN4 — CID 111056450

IUPAC1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCC1CCC1)N(C)c1ccccc1.I
InChIInChI=1S/C16H26N4.HI/c1-13(20(2)15-9-4-3-5-10-15)11-18-16(17)19-12-14-7-6-8-14;/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H3,17,18,19);1H
InChIKeyGVKDBGJUCQSWDW-UHFFFAOYSA-N
MW402.32 g/mol
LogP2.83
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide (PubChem CID 111056450) has the molecular formula C16H27IN4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
PubChem CID111056450
Molecular FormulaC16H27IN4
Molecular Weight402.32 g/mol
Exact Mass402.13
IUPAC Name1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCC1CCC1)N(C)c1ccccc1.I
InChIInChI=1S/C16H26N4.HI/c1-13(20(2)15-9-4-3-5-10-15)11-18-16(17)19-12-14-7-6-8-14;/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H3,17,18,19);1H
InChIKeyGVKDBGJUCQSWDW-UHFFFAOYSA-N
XLogP2.83
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
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-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029516
2-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(N-methylanilino)propyl]guanidine
CID 111056423
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
1-(cyclobutylmethyl)-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111029013

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide (CID 111056450) is 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide is CC(C/N=C(\N)NCC1CCC1)N(C)c1ccccc1.I.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The InChIKey is GVKDBGJUCQSWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.HI/c1-13(20(2)15-9-4-3-5-10-15)11-18-16(17)19-12-14-7-6-8-14;/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide has a molecular weight of 402.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111056450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).