N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide

C17H34N4O2 — CID 111789966

IUPACN-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)CCCCC1O
InChIInChI=1S/C17H34N4O2/c1-6-18-15(19-11-14(23)21-16(2,3)4)20-12-17(5)10-8-7-9-13(17)22/h13,22H,6-12H2,1-5H3,(H,21,23)(H2,18,19,20)
InChIKeyAIVWUNBADCZQKU-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.40
Rot. Bonds5

About N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide (PubChem CID 111789966) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide
PubChem CID111789966
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC NameN-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)CCCCC1O
InChIInChI=1S/C17H34N4O2/c1-6-18-15(19-11-14(23)21-16(2,3)4)20-12-17(5)10-8-7-9-13(17)22/h13,22H,6-12H2,1-5H3,(H,21,23)(H2,18,19,20)
InChIKeyAIVWUNBADCZQKU-UHFFFAOYSA-N
XLogP1.40
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.40
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'}

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Related Compounds

N-tert-butyl-2-[[ethylamino-[(1-hydroxycyclobutyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111839524
N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111831691
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-[2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-cyclohexylacetamide;hydroiodide
CID 111385537
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
CID 111839583
N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111189663
N-tert-butyl-2-[[(4-cycloheptyloxybutylamino)-(ethylamino)methylidene]amino]acetamide
CID 111767793
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[(2-hydroxy-1-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109406435
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
N-tert-butyl-2-[[ethylamino-[(1-methylpyrrolidin-3-yl)methylamino]methylidene]amino]acetamide
CID 111384205

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide (CID 111789966) is N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC1(C)CCCCC1O.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide?
The InChIKey is AIVWUNBADCZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-6-18-15(19-11-14(23)21-16(2,3)4)20-12-17(5)10-8-7-9-13(17)22/h13,22H,6-12H2,1-5H3,(H,21,23)(H2,18,19,20).
What are the key properties of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide has a molecular weight of 326.49 g/mol, XLogP of 1.40, 5 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-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111789966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).