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

C13H27N3O2 — CID 107253812

IUPACtert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C13H27N3O2/c1-5-6-10(16-11-7-14-8-11)9-15-12(17)18-13(2,3)4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyYLGCVRVKWQCUET-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.24
Rot. Bonds6

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

tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate (PubChem CID 107253812) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
PubChem CID107253812
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C13H27N3O2/c1-5-6-10(16-11-7-14-8-11)9-15-12(17)18-13(2,3)4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyYLGCVRVKWQCUET-UHFFFAOYSA-N
XLogP1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
CID 107253596
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate (CID 107253812) is tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CNC1.
What is the InChIKey of tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate?
The InChIKey is YLGCVRVKWQCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-6-10(16-11-7-14-8-11)9-15-12(17)18-13(2,3)4/h10-11,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate?
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.24, 6 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)pentyl]carbamate is sourced from PubChem (CID 107253812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).