2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C14H31IN4 — CID 136925525

IUPAC2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCCN(CC)CC)NCC.I
InChIInChI=1S/C14H30N4.HI/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4;/h5H,1,6-13H2,2-4H3,(H2,15,16,17);1H
InChIKeyHYUYSCWRNVCOIH-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.47
Rot. Bonds10

About 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 136925525) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID136925525
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCCN(CC)CC)NCC.I
InChIInChI=1S/C14H30N4.HI/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4;/h5H,1,6-13H2,2-4H3,(H2,15,16,17);1H
InChIKeyHYUYSCWRNVCOIH-UHFFFAOYSA-N
XLogP2.47
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;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

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982048
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 110982049
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925863
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 136925864
1-Butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
CID 166131719
2-(diethylamino)-6-(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 17841721
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2-Bis(prop-2-enyl)-1-propylguanidine
CID 23281969
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N-pentyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 70555211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 136925525) is 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CCCCN(CC)CC)NCC.I.
What is the InChIKey of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is HYUYSCWRNVCOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-5-11-16-14(15-6-2)17-12-9-10-13-18(7-3)8-4;/h5H,1,6-13H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136925525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).