tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate

C10H19IN2O3 — CID 87899676

IUPACtert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(I)CC1COCCN1
InChIInChI=1S/C10H19IN2O3/c1-10(2,3)16-9(14)13(11)6-8-7-15-5-4-12-8/h8,12H,4-7H2,1-3H3
InChIKeyWIDHWYGLTKLTIZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP1.56
Rot. Bonds2

About tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate

tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate (PubChem CID 87899676) has the molecular formula C10H19IN2O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate
PubChem CID87899676
Molecular FormulaC10H19IN2O3
Molecular Weight342.18 g/mol
Exact Mass342.04
IUPAC Nametert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(I)CC1COCCN1
InChIInChI=1S/C10H19IN2O3/c1-10(2,3)16-9(14)13(11)6-8-7-15-5-4-12-8/h8,12H,4-7H2,1-3H3
InChIKeyWIDHWYGLTKLTIZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-morpholin-3-ylpropanoate
CID 53408695
trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
CID 123720044
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
CID 107244961
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
CID 159531809
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
3,3,3-trifluoro-2-methyl-2-(morpholin-3-ylmethyl)propanoic acid
CID 166703195
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate (CID 87899676) is tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)N(I)CC1COCCN1.
What is the InChIKey of tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate?
The InChIKey is WIDHWYGLTKLTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O3/c1-10(2,3)16-9(14)13(11)6-8-7-15-5-4-12-8/h8,12H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate?
tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate has a molecular weight of 342.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate is sourced from PubChem (CID 87899676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).