2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide

C17H37IN4O — CID 111239528

IUPAC2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCC/N=C(\NCC)NCCN(CC)C1CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-4-7-14-22-15-8-11-19-17(18-5-2)20-12-13-21(6-3)16-9-10-16;/h16H,4-15H2,1-3H3,(H2,18,19,20);1H
InChIKeyNUJXQUBILDMEKN-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.85
Rot. Bonds13

About 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide

2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111239528) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111239528
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCC/N=C(\NCC)NCCN(CC)C1CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-4-7-14-22-15-8-11-19-17(18-5-2)20-12-13-21(6-3)16-9-10-16;/h16H,4-15H2,1-3H3,(H2,18,19,20);1H
InChIKeyNUJXQUBILDMEKN-UHFFFAOYSA-N
XLogP2.85
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.85
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'}

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Related Compounds

2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
CID 111694194
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111247659
1-(2-butoxyethyl)-2-[3-(cyclopropylmethoxy)propyl]-3-ethylguanidine;hydroiodide
CID 111392052
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111869822
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642585
1-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
2-[3-(cyclopropylmethoxy)propyl]-1-[2-(diethylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 111392380
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840212
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
2-(3-butoxypropyl)-1-tert-butyl-3-ethylguanidine;hydroiodide
CID 110965863

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide (CID 111239528) is 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide is CCCCOCCC/N=C(\NCC)NCCN(CC)C1CC1.I.
What is the InChIKey of 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is NUJXQUBILDMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-4-7-14-22-15-8-11-19-17(18-5-2)20-12-13-21(6-3)16-9-10-16;/h16H,4-15H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.85, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111239528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).