2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C12H27IN4O — CID 111073312

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(C1CC1)N(C)C.I
InChIInChI=1S/C12H26N4O.HI/c1-9(8-17-4)15-12(13)14-7-11(16(2)3)10-5-6-10;/h9-11H,5-8H2,1-4H3,(H3,13,14,15);1H
InChIKeyXCPGBKRECWNWPB-UHFFFAOYSA-N
MW370.28 g/mol
LogP0.88
Rot. Bonds7

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111073312) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111073312
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC(C1CC1)N(C)C.I
InChIInChI=1S/C12H26N4O.HI/c1-9(8-17-4)15-12(13)14-7-11(16(2)3)10-5-6-10;/h9-11H,5-8H2,1-4H3,(H3,13,14,15);1H
InChIKeyXCPGBKRECWNWPB-UHFFFAOYSA-N
XLogP0.88
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)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-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111074176
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
2-(2-ethylhexyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111022536
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111077192
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096379
1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606171
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111063796
1-(1-methoxypropan-2-yl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822494

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111073312) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/CC(C1CC1)N(C)C.I.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is XCPGBKRECWNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-9(8-17-4)15-12(13)14-7-11(16(2)3)10-5-6-10;/h9-11H,5-8H2,1-4H3,(H3,13,14,15);1H.
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111073312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).