N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

C12H21IN4O2 — CID 111042782

IUPACN-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CCNC(=O)c1ccco1.I
InChIInChI=1S/C12H20N4O2.HI/c1-12(2,3)16-11(13)15-7-6-14-10(17)9-5-4-8-18-9;/h4-5,8H,6-7H2,1-3H3,(H,14,17)(H3,13,15,16);1H
InChIKeyLSQPRWCTUSQXGF-UHFFFAOYSA-N
MW380.23 g/mol
LogP1.33
Rot. Bonds4

About N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111042782) has the molecular formula C12H21IN4O2 and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111042782
Molecular FormulaC12H21IN4O2
Molecular Weight380.23 g/mol
Exact Mass380.07
IUPAC NameN-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CCNC(=O)c1ccco1.I
InChIInChI=1S/C12H20N4O2.HI/c1-12(2,3)16-11(13)15-7-6-14-10(17)9-5-4-8-18-9;/h4-5,8H,6-7H2,1-3H3,(H,14,17)(H3,13,15,16);1H
InChIKeyLSQPRWCTUSQXGF-UHFFFAOYSA-N
XLogP1.33
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
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-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042765
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046750
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111720888
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 56801664
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111042782) is N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is CC(C)(C)N/C(N)=N/CCNC(=O)c1ccco1.I.
What is the InChIKey of N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is LSQPRWCTUSQXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.HI/c1-12(2,3)16-11(13)15-7-6-14-10(17)9-5-4-8-18-9;/h4-5,8H,6-7H2,1-3H3,(H,14,17)(H3,13,15,16);1H.
What are the key properties of N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 380.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).