3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

C14H30IN5O2 — CID 111077888

IUPAC3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(N)=N/CCCN1CCOCC1.I
InChIInChI=1S/C14H29N5O2.HI/c1-2-5-16-13(20)4-7-18-14(15)17-6-3-8-19-9-11-21-12-10-19;/h2-12H2,1H3,(H,16,20)(H3,15,17,18);1H
InChIKeyIBNBGZWQXACKFB-UHFFFAOYSA-N
MW427.33 g/mol
LogP0.15
Rot. Bonds9

About 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (PubChem CID 111077888) has the molecular formula C14H30IN5O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
PubChem CID111077888
Molecular FormulaC14H30IN5O2
Molecular Weight427.33 g/mol
Exact Mass427.14
IUPAC Name3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(N)=N/CCCN1CCOCC1.I
InChIInChI=1S/C14H29N5O2.HI/c1-2-5-16-13(20)4-7-18-14(15)17-6-3-8-19-9-11-21-12-10-19;/h2-12H2,1H3,(H,16,20)(H3,15,17,18);1H
InChIKeyIBNBGZWQXACKFB-UHFFFAOYSA-N
XLogP0.15
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
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-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
4-methoxy-N-[2-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111055700
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761

Frequently Asked Questions

What is the IUPAC name of 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The IUPAC name of 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (CID 111077888) is 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The canonical SMILES for 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is CCCNC(=O)CCN/C(N)=N/CCCN1CCOCC1.I.
What is the InChIKey of 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The InChIKey is IBNBGZWQXACKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2.HI/c1-2-5-16-13(20)4-7-18-14(15)17-6-3-8-19-9-11-21-12-10-19;/h2-12H2,1H3,(H,16,20)(H3,15,17,18);1H.
What are the key properties of 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 427.33 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 111077888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).