1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide

C13H29IN4 — CID 110945531

IUPAC1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCC(C)N(C)C1CC1.I
InChIInChI=1S/C13H28N4.HI/c1-6-10(2)16-13(14-4)15-9-11(3)17(5)12-7-8-12;/h10-12H,6-9H2,1-5H3,(H2,14,15,16);1H
InChIKeyQWPXFHSPRXTFHY-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.05
Rot. Bonds6

About 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide

1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide (PubChem CID 110945531) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
PubChem CID110945531
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCC(C)N(C)C1CC1.I
InChIInChI=1S/C13H28N4.HI/c1-6-10(2)16-13(14-4)15-9-11(3)17(5)12-7-8-12;/h10-12H,6-9H2,1-5H3,(H2,14,15,16);1H
InChIKeyQWPXFHSPRXTFHY-UHFFFAOYSA-N
XLogP2.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.05
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-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111891399
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228600
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319313
1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110945267
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971471
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406816
N-butan-2-yl-2-[2-[cyclopropyl(methyl)amino]propylamino]acetamide
CID 114133096
1-butan-2-yl-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110943546
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910584
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673715
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652260
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194627

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide (CID 110945531) is 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide is CCC(C)N/C(=N\C)NCC(C)N(C)C1CC1.I.
What is the InChIKey of 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide?
The InChIKey is QWPXFHSPRXTFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-6-10(2)16-13(14-4)15-9-11(3)17(5)12-7-8-12;/h10-12H,6-9H2,1-5H3,(H2,14,15,16);1H.
What are the key properties of 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110945531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).