1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

C16H26IN3O — CID 111545832

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCC1CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H25N3O.HI/c1-13(15-6-4-3-5-7-15)19-16(17-2)18-10-11-20-12-14-8-9-14;/h3-7,13-14H,8-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyXCPKEUWEBTZBKV-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.96
Rot. Bonds7

About 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide

1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 111545832) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID111545832
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCC1CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H25N3O.HI/c1-13(15-6-4-3-5-7-15)19-16(17-2)18-10-11-20-12-14-8-9-14;/h3-7,13-14H,8-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyXCPKEUWEBTZBKV-UHFFFAOYSA-N
XLogP2.96
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)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-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545682
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111759864
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111759865
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
1-[3-(cyclopropylmethoxy)propyl]-3-[1-(3,4-diethoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111297786
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
2-cyclopentyl-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110949235
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111392800
1-[2-(cyclopropylmethoxy)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111762486

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 111545832) is 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(\NCCOCC1CC1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is XCPKEUWEBTZBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-13(15-6-4-3-5-7-15)19-16(17-2)18-10-11-20-12-14-8-9-14;/h3-7,13-14H,8-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111545832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).