3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C17H36IN5O2 — CID 111931725

IUPAC3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCC(C(C)C)N1CCOCC1.I
InChIInChI=1S/C17H35N5O2.HI/c1-6-19-16(21-12-17(4,5)15(18)23)20-11-14(13(2)3)22-7-9-24-10-8-22;/h13-14H,6-12H2,1-5H3,(H2,18,23)(H2,19,20,21);1H
InChIKeyIRCBRARCNMCJIS-UHFFFAOYSA-N
MW469.41 g/mol
LogP1.03
Rot. Bonds8

About 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111931725) has the molecular formula C17H36IN5O2 and a molecular weight of 469.41 g/mol. Its IUPAC name is 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111931725
Molecular FormulaC17H36IN5O2
Molecular Weight469.41 g/mol
Exact Mass469.19
IUPAC Name3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCC(C(C)C)N1CCOCC1.I
InChIInChI=1S/C17H35N5O2.HI/c1-6-19-16(21-12-17(4,5)15(18)23)20-11-14(13(2)3)22-7-9-24-10-8-22;/h13-14H,6-12H2,1-5H3,(H2,18,23)(H2,19,20,21);1H
InChIKeyIRCBRARCNMCJIS-UHFFFAOYSA-N
XLogP1.03
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;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-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 109416878
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
methyl 3-[[N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]-2-methylpropanoate
CID 111931118
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111660633
N-ethyl-4-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111930174
1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110967142
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607470
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111607471
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110954776
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111318000

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 111931725) is 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(N)=O)NCC(C(C)C)N1CCOCC1.I.
What is the InChIKey of 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is IRCBRARCNMCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O2.HI/c1-6-19-16(21-12-17(4,5)15(18)23)20-11-14(13(2)3)22-7-9-24-10-8-22;/h13-14H,6-12H2,1-5H3,(H2,18,23)(H2,19,20,21);1H.
What are the key properties of 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?
3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 469.41 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111931725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).