tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate

C19H35N5O3 — CID 45379691

IUPACtert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCN=C2NCCN1CCOCC1
InChIInChI=1S/C19H35N5O3/c1-18(2,3)27-17(25)24-9-4-19(5-10-24)16(20-6-7-22-19)21-8-11-23-12-14-26-15-13-23/h22H,4-15H2,1-3H3,(H,20,21)
InChIKeyQLTXVVDOZWCDDE-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.68
Rot. Bonds3

About tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate

tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate (PubChem CID 45379691) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
PubChem CID45379691
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Nametert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCN=C2NCCN1CCOCC1
InChIInChI=1S/C19H35N5O3/c1-18(2,3)27-17(25)24-9-4-19(5-10-24)16(20-6-7-22-19)21-8-11-23-12-14-26-15-13-23/h22H,4-15H2,1-3H3,(H,20,21)
InChIKeyQLTXVVDOZWCDDE-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate with MolForge

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Related Compounds

Tert-butyl 5-(2,4,4-trimethylpentan-2-ylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 23624340
Tert-butyl 5-(tert-butylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379584
Tert-butyl 5-(2-methoxyethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379585
Tert-butyl 5-(cyclopentylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379586
Tert-butyl 5-(3-methoxypropylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379587
Tert-butyl 5-(tert-butylamino)-1,4,8-triazaspiro[5.5]undec-4-ene-8-carboxylate
CID 71695087
tert-butyl N-ethyl-N-[[1-[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]piperidin-4-yl]methyl]carbamate;hydroiodide
CID 109563319
tert-butyl N-ethyl-N-[[1-[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]piperidin-4-yl]methyl]carbamate
CID 109563320
tert-butyl N-ethyl-N-[[1-[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]piperidin-4-yl]methyl]carbamate;hydroiodide
CID 109563545
tert-butyl N-ethyl-N-[[1-[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]piperidin-4-yl]methyl]carbamate
CID 109563546
tert-butyl N-ethyl-N-[[1-[N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]carbamimidoyl]piperidin-4-yl]methyl]carbamate;hydroiodide
CID 109563711
tert-butyl N-ethyl-N-[[1-[N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]carbamimidoyl]piperidin-4-yl]methyl]carbamate
CID 109563712

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate?
The IUPAC name of tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate (CID 45379691) is tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate?
The canonical SMILES for tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)NCCN=C2NCCN1CCOCC1.
What is the InChIKey of tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate?
The InChIKey is QLTXVVDOZWCDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-18(2,3)27-17(25)24-9-4-19(5-10-24)16(20-6-7-22-19)21-8-11-23-12-14-26-15-13-23/h22H,4-15H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate?
tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-morpholin-4-ylethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate is sourced from PubChem (CID 45379691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).