N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide

C14H29IN4O2 — CID 111831691

IUPACN-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)COC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-6-15-12(17-8-14(5)9-20-10-14)16-7-11(19)18-13(2,3)4;/h6-10H2,1-5H3,(H,18,19)(H2,15,16,17);1H
InChIKeyDCKZURUJHZCIAK-UHFFFAOYSA-N
MW412.32 g/mol
LogP1.11
Rot. Bonds5

About N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111831691) has the molecular formula C14H29IN4O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111831691
Molecular FormulaC14H29IN4O2
Molecular Weight412.32 g/mol
Exact Mass412.13
IUPAC NameN-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)COC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-6-15-12(17-8-14(5)9-20-10-14)16-7-11(19)18-13(2,3)4;/h6-10H2,1-5H3,(H,18,19)(H2,15,16,17);1H
InChIKeyDCKZURUJHZCIAK-UHFFFAOYSA-N
XLogP1.11
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-tert-butyl-2-[[ethylamino-[(1-hydroxycyclobutyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111839524
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CID 111839583
N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 111831722
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
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N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide
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N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
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N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111383755
N-tert-butyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111320367
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide (CID 111831691) is N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)COC1.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is DCKZURUJHZCIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.HI/c1-6-15-12(17-8-14(5)9-20-10-14)16-7-11(19)18-13(2,3)4;/h6-10H2,1-5H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111831691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).