2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide

C14H29IN4 — CID 111961640

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)NC1CC1C.I
InChIInChI=1S/C14H28N4.HI/c1-11-10-13(11)17-14(15-2)16-7-4-12-5-8-18(3)9-6-12;/h11-13H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyVOTAXHXOYIWKNZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP1.91
Rot. Bonds4

About 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111961640) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111961640
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)NC1CC1C.I
InChIInChI=1S/C14H28N4.HI/c1-11-10-13(11)17-14(15-2)16-7-4-12-5-8-18(3)9-6-12;/h11-13H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyVOTAXHXOYIWKNZ-UHFFFAOYSA-N
XLogP1.91
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 51.91
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

2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111961641
1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110917693
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111963244
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111629054
2-methyl-1-(2-methylcyclopropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370782
tert-butyl N-[3-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]propyl]carbamate
CID 111886361
2-methyl-1-(2-methylcyclopropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111963245
2-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370807
2-methyl-1-(2-methylcyclopropyl)-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111962053
1-[2-(azepan-1-yl)-3-methylbutyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111937136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide (CID 111961640) is 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide is C/N=C(\NCCC1CCN(C)CC1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is VOTAXHXOYIWKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-11-10-13(11)17-14(15-2)16-7-4-12-5-8-18(3)9-6-12;/h11-13H,4-10H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).