N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide

C19H37N5O2 — CID 111839583

IUPACN-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(N2CCCC2)CCOCC1
InChIInChI=1S/C19H37N5O2/c1-5-20-17(21-14-16(25)23-18(2,3)4)22-15-19(8-12-26-13-9-19)24-10-6-7-11-24/h5-15H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyAEPUHIRJRUPEKT-UHFFFAOYSA-N
MW367.54 g/mol
LogP1.10
Rot. Bonds6

About N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide (PubChem CID 111839583) has the molecular formula C19H37N5O2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
PubChem CID111839583
Molecular FormulaC19H37N5O2
Molecular Weight367.54 g/mol
Exact Mass367.29
IUPAC NameN-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC1(N2CCCC2)CCOCC1
InChIInChI=1S/C19H37N5O2/c1-5-20-17(21-14-16(25)23-18(2,3)4)22-15-19(8-12-26-13-9-19)24-10-6-7-11-24/h5-15H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyAEPUHIRJRUPEKT-UHFFFAOYSA-N
XLogP1.10
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-tert-butyl-3-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119140085
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111004110
N-tert-butyl-2-[[ethylamino-[(3-methyloxetan-3-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111831691
N-tert-butyl-2-[[ethylamino-[(1-hydroxycyclobutyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111839524
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
N-tert-butyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003765
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
N-tert-butyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111320367
N-tert-butyl-2-[[ethylamino-[(2-hydroxy-1-methylcyclohexyl)methylamino]methylidene]amino]acetamide
CID 111789966

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide (CID 111839583) is N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC1(N2CCCC2)CCOCC1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide?
The InChIKey is AEPUHIRJRUPEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2/c1-5-20-17(21-14-16(25)23-18(2,3)4)22-15-19(8-12-26-13-9-19)24-10-6-7-11-24/h5-15H2,1-4H3,(H,23,25)(H2,20,21,22).
What are the key properties of N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide has a molecular weight of 367.54 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111839583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).