2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide

C15H33IN4O — CID 111834776

IUPAC2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCC(C)N1CCOCC1C.I
InChIInChI=1S/C15H32N4O.HI/c1-5-6-7-8-17-15(16-4)18-11-13(2)19-9-10-20-12-14(19)3;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyDSRRFWNWZDVXBX-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.07
Rot. Bonds7

About 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide

2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide (PubChem CID 111834776) has the molecular formula C15H33IN4O and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
PubChem CID111834776
Molecular FormulaC15H33IN4O
Molecular Weight412.36 g/mol
Exact Mass412.17
IUPAC Name2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCC(C)N1CCOCC1C.I
InChIInChI=1S/C15H32N4O.HI/c1-5-6-7-8-17-15(16-4)18-11-13(2)19-9-10-20-12-14(19)3;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H
InChIKeyDSRRFWNWZDVXBX-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 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;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

1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836401
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111838575
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111839631
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839210
2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837100
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 109470505
1-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111837832
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 109470506
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835834
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111129072
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide (CID 111834776) is 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide is CCCCCN/C(=N\C)NCC(C)N1CCOCC1C.I.
What is the InChIKey of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide?
The InChIKey is DSRRFWNWZDVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O.HI/c1-5-6-7-8-17-15(16-4)18-11-13(2)19-9-10-20-12-14(19)3;/h13-14H,5-12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide?
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;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 2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-pentylguanidine;hydroiodide is sourced from PubChem (CID 111834776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).