tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate

C18H35N3O3 — CID 113231791

IUPACtert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
SMILESCC(C)CC(CNC1CN(C(=O)OC(C)(C)C)C1)N1CCOCC1
InChIInChI=1S/C18H35N3O3/c1-14(2)10-16(20-6-8-23-9-7-20)11-19-15-12-21(13-15)17(22)24-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyKEXQDNLOBUZHPY-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.94
Rot. Bonds6

About tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate (PubChem CID 113231791) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
PubChem CID113231791
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
SMILESCC(C)CC(CNC1CN(C(=O)OC(C)(C)C)C1)N1CCOCC1
InChIInChI=1S/C18H35N3O3/c1-14(2)10-16(20-6-8-23-9-7-20)11-19-15-12-21(13-15)17(22)24-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyKEXQDNLOBUZHPY-UHFFFAOYSA-N
XLogP1.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 59356577
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(2-sulfanylpropylamino)piperidine-1-carboxylate
CID 151062802
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
CID 171991186
tert-butyl 3-[[2-(dimethylamino)-4-methylpentyl]amino]pyrrolidine-1-carboxylate
CID 103801751
1,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrrolidin-3-amine
CID 81302361
tert-butyl 3-(7-methyloctylamino)azetidine-1-carboxylate
CID 63421387
tert-butyl 3-[[N'-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467463
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate (CID 113231791) is tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate is CC(C)CC(CNC1CN(C(=O)OC(C)(C)C)C1)N1CCOCC1.
What is the InChIKey of tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate?
The InChIKey is KEXQDNLOBUZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-14(2)10-16(20-6-8-23-9-7-20)11-19-15-12-21(13-15)17(22)24-18(3,4)5/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate has a molecular weight of 341.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 113231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).