tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate

C12H25N3O2 — CID 107250634

IUPACtert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC1CNC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-9(8-14-10-6-13-7-10)15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyPIPGFPSWNSTYJK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.85
Rot. Bonds5

About tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate

tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate (PubChem CID 107250634) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
PubChem CID107250634
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC1CNC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-9(8-14-10-6-13-7-10)15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyPIPGFPSWNSTYJK-UHFFFAOYSA-N
XLogP0.85
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250315
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate (CID 107250634) is tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate is CCC(CNC1CNC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate?
The InChIKey is PIPGFPSWNSTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-9(8-14-10-6-13-7-10)15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).