N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide

C13H27IN4O — CID 111383755

IUPACN-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC1CC1C.I
InChIInChI=1S/C13H26N4O.HI/c1-6-14-12(16-10-7-9(10)2)15-8-11(18)17-13(3,4)5;/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,14,15,16);1H
InChIKeyZPADJISZZFNNRG-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.48
Rot. Bonds4

About N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111383755) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
PubChem CID111383755
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC NameN-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC1CC1C.I
InChIInChI=1S/C13H26N4O.HI/c1-6-14-12(16-10-7-9(10)2)15-8-11(18)17-13(3,4)5;/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,14,15,16);1H
InChIKeyZPADJISZZFNNRG-UHFFFAOYSA-N
XLogP1.48
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111189663
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111963333
tert-butyl 3-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109466338
N-tert-butyl-2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]acetamide
CID 111528369
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-tert-butyl-2-[[[(1,4-dimethylpiperazin-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111831693
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
N-tert-butyl-2-[[ethylamino-[(1-hydroxycyclobutyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111839524
N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide
CID 111385728
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611968

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide (CID 111383755) is N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NC1CC1C.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is ZPADJISZZFNNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c1-6-14-12(16-10-7-9(10)2)15-8-11(18)17-13(3,4)5;/h9-10H,6-8H2,1-5H3,(H,17,18)(H2,14,15,16);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111383755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).