tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate

C19H39N5O3 — CID 109391666

IUPACtert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
SMILESCCCN(CCN/C(=N/CCN1CCOCC1)NCC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H39N5O3/c1-6-10-24(18(25)27-19(3,4)5)12-9-22-17(20-7-2)21-8-11-23-13-15-26-16-14-23/h6-16H2,1-5H3,(H2,20,21,22)
InChIKeyAKJKGLMIAOCAOM-UHFFFAOYSA-N
MW385.55 g/mol
LogP1.52
Rot. Bonds9

About tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate (PubChem CID 109391666) has the molecular formula C19H39N5O3 and a molecular weight of 385.55 g/mol. Its IUPAC name is tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
PubChem CID109391666
Molecular FormulaC19H39N5O3
Molecular Weight385.55 g/mol
Exact Mass385.31
IUPAC Nametert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
SMILESCCCN(CCN/C(=N/CCN1CCOCC1)NCC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H39N5O3/c1-6-10-24(18(25)27-19(3,4)5)12-9-22-17(20-7-2)21-8-11-23-13-15-26-16-14-23/h6-16H2,1-5H3,(H2,20,21,22)
InChIKeyAKJKGLMIAOCAOM-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Tert-butyl 4-[2-[[ethylamino-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methylidene]amino]ethyl]piperazine-1-carboxylate
CID 111885087
1-(imidazolin-2-yl)-4-Boc-piperazine
CID 18424132
tert-butyl N-methyl-N-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethyl-(piperazine-1-carbonyl)amino]ethoxy]ethyl]carbamate
CID 170007286
tert-butyl 6-(2-morpholin-4-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397888
tert-butyl 6-(3-morpholin-4-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397907
tert-butyl 6-(1-morpholin-4-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398043
tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398418
tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377926
tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377927
tert-butyl N-[2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377960
tert-butyl N-[2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377961
tert-butyl N-[2-[[N'-(3-ethoxypropyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate (CID 109391666) is tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate is CCCN(CCN/C(=N/CCN1CCOCC1)NCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate?
The InChIKey is AKJKGLMIAOCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O3/c1-6-10-24(18(25)27-19(3,4)5)12-9-22-17(20-7-2)21-8-11-23-13-15-26-16-14-23/h6-16H2,1-5H3,(H2,20,21,22).
What are the key properties of tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate has a molecular weight of 385.55 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 109391666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).