N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

C15H27IN4O2 — CID 111158080

IUPACN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCCCN(C)/C(=N/CCNC(=O)c1ccco1)NCC.I
InChIInChI=1S/C15H26N4O2.HI/c1-4-6-11-19(3)15(16-5-2)18-10-9-17-14(20)13-8-7-12-21-13;/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,18)(H,17,20);1H
InChIKeyFWJCHPJEECAPJW-UHFFFAOYSA-N
MW422.31 g/mol
LogP2.32
Rot. Bonds8

About N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111158080) has the molecular formula C15H27IN4O2 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111158080
Molecular FormulaC15H27IN4O2
Molecular Weight422.31 g/mol
Exact Mass422.12
IUPAC NameN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCCCN(C)/C(=N/CCNC(=O)c1ccco1)NCC.I
InChIInChI=1S/C15H26N4O2.HI/c1-4-6-11-19(3)15(16-5-2)18-10-9-17-14(20)13-8-7-12-21-13;/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,18)(H,17,20);1H
InChIKeyFWJCHPJEECAPJW-UHFFFAOYSA-N
XLogP2.32
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111158721
N-[4-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111159045
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111159266
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111158408
N-[2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111195493
N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111160628
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110991324
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111158586
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
1-butyl-3-ethyl-2-[2-(3-hydroxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 111158316
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109483752

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111158080) is N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is CCCCN(C)/C(=N/CCNC(=O)c1ccco1)NCC.I.
What is the InChIKey of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is FWJCHPJEECAPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.HI/c1-4-6-11-19(3)15(16-5-2)18-10-9-17-14(20)13-8-7-12-21-13;/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,18)(H,17,20);1H.
What are the key properties of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 422.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111158080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).