N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide

C15H31IN4O2 — CID 111189663

IUPACN-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC1CCC(O)CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-5-16-14(17-10-13(21)19-15(2,3)4)18-11-6-8-12(20)9-7-11;/h11-12,20H,5-10H2,1-4H3,(H,19,21)(H2,16,17,18);1H
InChIKeyPUBGKGOOTWJFSY-UHFFFAOYSA-N
MW426.34 g/mol
LogP1.38
Rot. Bonds4

About N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111189663) has the molecular formula C15H31IN4O2 and a molecular weight of 426.34 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
PubChem CID111189663
Molecular FormulaC15H31IN4O2
Molecular Weight426.34 g/mol
Exact Mass426.15
IUPAC NameN-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC1CCC(O)CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-5-16-14(17-10-13(21)19-15(2,3)4)18-11-6-8-12(20)9-7-11;/h11-12,20H,5-10H2,1-4H3,(H,19,21)(H2,16,17,18);1H
InChIKeyPUBGKGOOTWJFSY-UHFFFAOYSA-N
XLogP1.38
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 51.38
H-Bond Donors ≤ 54
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

2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
N-tert-butyl-2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]acetamide
CID 111528369
N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111383755
tert-butyl 3-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109466338
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
N-tert-butyl-2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111908802
2-[[amino-(cyclopropylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 110913876
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine;hydroiodide
CID 111978899
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110988783

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide (CID 111189663) is N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NC1CCC(O)CC1.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is PUBGKGOOTWJFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.HI/c1-5-16-14(17-10-13(21)19-15(2,3)4)18-11-6-8-12(20)9-7-11;/h11-12,20H,5-10H2,1-4H3,(H,19,21)(H2,16,17,18);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 426.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111189663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).