tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate

C14H26N2O3 — CID 176621863

IUPACtert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCC(O)CC1)C1CNC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16(11-8-15-9-11)10-4-6-12(17)7-5-10/h10-12,15,17H,4-9H2,1-3H3
InChIKeyDAZXTSFCTSXKFU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.50
Rot. Bonds2

About tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate

tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate (PubChem CID 176621863) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate
PubChem CID176621863
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCC(O)CC1)C1CNC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16(11-8-15-9-11)10-4-6-12(17)7-5-10/h10-12,15,17H,4-9H2,1-3H3
InChIKeyDAZXTSFCTSXKFU-UHFFFAOYSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-4-(tert-Butoxycarbonylamino)cyclohexanol
CID 1514287
tert-butyl N-[2-[(4-hydroxycyclohexyl)amino]ethyl]-N-methylcarbamate
CID 68231758
tert-butyl N-[2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 69967019
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4R)-4-hydroxypentyl]carbamate
CID 87126710
tert-butyl N-(4-deuterio-4-hydroxycyclohexyl)carbamate
CID 91106158
Tert-butyl 3-(4-hydroxybutylamino)azetidine-1-carboxylate
CID 106840797
tert-butyl 3-{[(1S,2S)-2-hydroxycyclohexyl]amino}azetidine-1-carboxylate
CID 126846098
tert-butyl 3-{[(1S,2S)-2-hydroxycyclohexyl](methyl)amino}azetidine-1-carboxylate
CID 126846102
2-methylbutan-2-yl N-(4-hydroxycyclohexyl)carbamate
CID 138622815
tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate
CID 141142684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate (CID 176621863) is tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate is CC(C)(C)OC(=O)N(C1CCC(O)CC1)C1CNC1.
What is the InChIKey of tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate?
The InChIKey is DAZXTSFCTSXKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16(11-8-15-9-11)10-4-6-12(17)7-5-10/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate?
tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(azetidin-3-yl)-N-(4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 176621863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).