N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide

C10H21IN4O — CID 136925839

IUPACN-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESC=CCN/C(=N/CCNC(C)=O)NCC.I
InChIInChI=1S/C10H20N4O.HI/c1-4-6-13-10(11-5-2)14-8-7-12-9(3)15;/h4H,1,5-8H2,2-3H3,(H,12,15)(H2,11,13,14);1H
InChIKeyKYWLCHAZOFFNDH-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.48
Rot. Bonds6

About N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide

N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide (PubChem CID 136925839) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide
PubChem CID136925839
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC NameN-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESC=CCN/C(=N/CCNC(C)=O)NCC.I
InChIInChI=1S/C10H20N4O.HI/c1-4-6-13-10(11-5-2)14-8-7-12-9(3)15;/h4H,1,5-8H2,2-3H3,(H,12,15)(H2,11,13,14);1H
InChIKeyKYWLCHAZOFFNDH-UHFFFAOYSA-N
XLogP0.48
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.48
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 136925711
2-(3,3-dimethylbutyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925989
tert-butyl N-[2-[[N'-(2-acetamidoethyl)-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884006
methyl 7-[[ethylamino-(prop-2-enylamino)methylidene]amino]heptanoate;hydroiodide
CID 136926037
propan-2-yl 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanoate;hydroiodide
CID 136925787
N-[3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 136925803
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136924566
tert-butyl N-[3-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111771019
2-[4-(diethylamino)butyl]-1-ethyl-3-prop-2-enylguanidine
CID 136925526
2-(2-butoxyethyl)-1-ethyl-3-prop-2-enylguanidine
CID 136926090
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136926212
N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
CID 136925442

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide (CID 136925839) is N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide is C=CCN/C(=N/CCNC(C)=O)NCC.I.
What is the InChIKey of N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide?
The InChIKey is KYWLCHAZOFFNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-4-6-13-10(11-5-2)14-8-7-12-9(3)15;/h4H,1,5-8H2,2-3H3,(H,12,15)(H2,11,13,14);1H.
What are the key properties of N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide?
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 136925839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).