2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C14H29IN4 — CID 136925955

IUPAC2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCN(C(C)C)C1CC1)NCC.I
InChIInChI=1S/C14H28N4.HI/c1-5-9-16-14(15-6-2)17-10-11-18(12(3)4)13-7-8-13;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyYYQJCDVKBJYCFZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 136925955) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID136925955
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCN(C(C)C)C1CC1)NCC.I
InChIInChI=1S/C14H28N4.HI/c1-5-9-16-14(15-6-2)17-10-11-18(12(3)4)13-7-8-13;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyYYQJCDVKBJYCFZ-UHFFFAOYSA-N
XLogP2.22
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474512
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976015
2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110982902
2-(3,3-dimethylbutyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925989
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136924566
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958492
propan-2-yl 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanoate;hydroiodide
CID 136925787
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925487
2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925526
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 136925839
2-(2-butoxyethyl)-1-ethyl-3-prop-2-enylguanidine
CID 136926090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 136925955) is 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CCN(C(C)C)C1CC1)NCC.I.
What is the InChIKey of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is YYQJCDVKBJYCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-5-9-16-14(15-6-2)17-10-11-18(12(3)4)13-7-8-13;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136925955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).