tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate

C14H28N2O3 — CID 107251219

IUPACtert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCOC1C
InChIInChI=1S/C14H28N2O3/c1-6-11(16-12-7-8-18-10(12)2)9-15-13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyFBORCGVLMXFMKN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate

tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate (PubChem CID 107251219) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
PubChem CID107251219
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCOC1C
InChIInChI=1S/C14H28N2O3/c1-6-11(16-12-7-8-18-10(12)2)9-15-13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyFBORCGVLMXFMKN-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate (CID 107251219) is tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1CCOC1C.
What is the InChIKey of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate?
The InChIKey is FBORCGVLMXFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-11(16-12-7-8-18-10(12)2)9-15-13(17)19-14(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate?
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate is sourced from PubChem (CID 107251219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).