N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

C18H37IN4O — CID 109482970

IUPACN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC.I
InChIInChI=1S/C18H36N4O.HI/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5;/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23);1H
InChIKeyHDGSJIBQJZHMHP-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.41
Rot. Bonds10

About N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109482970) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
PubChem CID109482970
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC NameN-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC.I
InChIInChI=1S/C18H36N4O.HI/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5;/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23);1H
InChIKeyHDGSJIBQJZHMHP-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (CID 109482970) is N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is C=CCCCCCN(C)/C(=N/CCNC(=O)C(C)(C)C)NCC.I.
What is the InChIKey of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is HDGSJIBQJZHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-7-9-10-11-12-15-22(6)17(19-8-2)21-14-13-20-16(23)18(3,4)5;/h7H,1,8-15H2,2-6H3,(H,19,21)(H,20,23);1H.
What are the key properties of N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109482970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).