tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide

C14H23IN4O2 — CID 110916684

IUPACtert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
SMILESCC(C)(C)OC(=O)NCC/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H22N4O2.HI/c1-14(2,3)20-13(19)17-10-9-16-12(15)18-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,17,19)(H3,15,16,18);1H
InChIKeyVDHJYQPZOUMSGD-UHFFFAOYSA-N
MW406.27 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide

tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide (PubChem CID 110916684) has the molecular formula C14H23IN4O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide.

Molecular Properties

Compound Nametert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
PubChem CID110916684
Molecular FormulaC14H23IN4O2
Molecular Weight406.27 g/mol
Exact Mass406.09
IUPAC Nametert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
SMILESCC(C)(C)OC(=O)NCC/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H22N4O2.HI/c1-14(2,3)20-13(19)17-10-9-16-12(15)18-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,17,19)(H3,15,16,18);1H
InChIKeyVDHJYQPZOUMSGD-UHFFFAOYSA-N
XLogP2.56
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 52.56
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

tert-butyl N-[4-[[amino(anilino)methylidene]amino]butyl]carbamate
CID 110026726
tert-butyl 3-[[amino(anilino)methylidene]amino]propanoate
CID 111464797
tert-butyl N-[3-[[amino-(3-phenoxyanilino)methylidene]amino]propyl]carbamate
CID 111598244
tert-butyl N-[3-[[amino-(3-methylanilino)methylidene]amino]propyl]carbamate
CID 111044664
tert-butyl N-[4-[[amino-(3,4-dimethylanilino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110027006
tert-butyl N-[4-[[amino(anilino)methylidene]amino]butan-2-yl]-N-methylcarbamate;hydroiodide
CID 111118023
tert-butyl N-[3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111044711
tert-butyl N-[4-[[amino-(4-butan-2-ylanilino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110026934
tert-butyl 4-[3-[[amino(anilino)methylidene]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 110927390
tert-butyl N-[4-[[amino-[2-(methoxymethyl)anilino]methylidene]amino]butyl]carbamate;hydroiodide
CID 110027020
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
2-(2-tert-butylsulfonylethyl)-1-phenylguanidine;hydroiodide
CID 111123503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide?
The IUPAC name of tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide (CID 110916684) is tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide.
What is the SMILES notation for tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide?
The canonical SMILES for tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide is CC(C)(C)OC(=O)NCC/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide?
The InChIKey is VDHJYQPZOUMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.HI/c1-14(2,3)20-13(19)17-10-9-16-12(15)18-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3,(H,17,19)(H3,15,16,18);1H.
What are the key properties of tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide?
tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide has a molecular weight of 406.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide is sourced from PubChem (CID 110916684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).