tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate

C10H21N3O2 — CID 107241432

IUPACtert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CNC1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyLCOZLLPHPRMBBP-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.07
Rot. Bonds4

About tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate

tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate (PubChem CID 107241432) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
PubChem CID107241432
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CNC1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyLCOZLLPHPRMBBP-UHFFFAOYSA-N
XLogP0.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
tert-butyl N-[2-(2-oxaspiro[3.3]heptan-6-ylamino)ethyl]carbamate
CID 170628776
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[4-[3-(azetidin-3-ylamino)propoxy]cyclohexyl]carbamate
CID 107252500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate (CID 107241432) is tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CNC1.
What is the InChIKey of tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate?
The InChIKey is LCOZLLPHPRMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate has a molecular weight of 215.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 107241432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).