1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide

C12H27IN4O — CID 111059844

IUPAC1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CCOCC1.I
InChIInChI=1S/C12H26N4O.HI/c1-2-5-14-12(13)15-6-3-4-7-16-8-10-17-11-9-16;/h2-11H2,1H3,(H3,13,14,15);1H
InChIKeySSSQJBHVHUHUKJ-UHFFFAOYSA-N
MW370.28 g/mol
LogP1.03
Rot. Bonds7

About 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide

1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide (PubChem CID 111059844) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
PubChem CID111059844
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC Name1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCCCN1CCOCC1.I
InChIInChI=1S/C12H26N4O.HI/c1-2-5-14-12(13)15-6-3-4-7-16-8-10-17-11-9-16;/h2-11H2,1H3,(H3,13,14,15);1H
InChIKeySSSQJBHVHUHUKJ-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059920
3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077888
tert-butyl N-[4-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]carbamate;hydroiodide
CID 110026996
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111066384
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide?
The IUPAC name of 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide (CID 111059844) is 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCCCN1CCOCC1.I.
What is the InChIKey of 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide?
The InChIKey is SSSQJBHVHUHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-2-5-14-12(13)15-6-3-4-7-16-8-10-17-11-9-16;/h2-11H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide?
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111059844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).