1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide

C12H29IN4O — CID 111759102

IUPAC1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCCNC(C)(C)C.I
InChIInChI=1S/C12H28N4O.HI/c1-12(2,3)16-9-8-15-11(13-4)14-7-6-10-17-5;/h16H,6-10H2,1-5H3,(H2,13,14,15);1H
InChIKeyRUTBVAFZJBWMHG-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.19
Rot. Bonds7

About 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide

1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide (PubChem CID 111759102) has the molecular formula C12H29IN4O and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
PubChem CID111759102
Molecular FormulaC12H29IN4O
Molecular Weight372.30 g/mol
Exact Mass372.14
IUPAC Name1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCCNC(C)(C)C.I
InChIInChI=1S/C12H28N4O.HI/c1-12(2,3)16-9-8-15-11(13-4)14-7-6-10-17-5;/h16H,6-10H2,1-5H3,(H2,13,14,15);1H
InChIKeyRUTBVAFZJBWMHG-UHFFFAOYSA-N
XLogP1.19
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111607254
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894
1-(3-methoxypropyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110974576
methyl 7-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 110976362
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111761953
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide (CID 111759102) is 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCCOC)NCCNC(C)(C)C.I.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The InChIKey is RUTBVAFZJBWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O.HI/c1-12(2,3)16-9-8-15-11(13-4)14-7-6-10-17-5;/h16H,6-10H2,1-5H3,(H2,13,14,15);1H.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide has a molecular weight of 372.30 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111759102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).