1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C15H33IN4O — CID 110973760

IUPAC1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C15H32N4O.HI/c1-13-8-5-6-10-19(13)14(2)12-18-15(16-3)17-9-7-11-20-4;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBIPLDUNFOOPXKR-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.07
Rot. Bonds7

About 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 110973760) has the molecular formula C15H33IN4O and a molecular weight of 412.36 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID110973760
Molecular FormulaC15H33IN4O
Molecular Weight412.36 g/mol
Exact Mass412.17
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C15H32N4O.HI/c1-13-8-5-6-10-19(13)14(2)12-18-15(16-3)17-9-7-11-20-4;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBIPLDUNFOOPXKR-UHFFFAOYSA-N
XLogP2.07
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111402496
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056386
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135052
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110980231
1-(5-methoxypentyl)-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370196
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839210
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836401
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111381071
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111141754
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111689639

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 110973760) is 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is C/N=C(\NCCCOC)NCC(C)N1CCCCC1C.I.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is BIPLDUNFOOPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O.HI/c1-13-8-5-6-10-19(13)14(2)12-18-15(16-3)17-9-7-11-20-4;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 412.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110973760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).