tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate

C14H26N2O3 — CID 107238309

IUPACtert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-8-11(12)15-9-10-4-6-18-7-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyLUAUXZXLWXRRLC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate

tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate (PubChem CID 107238309) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
PubChem CID107238309
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-8-11(12)15-9-10-4-6-18-7-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyLUAUXZXLWXRRLC-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
CID 107237984
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoate
CID 7168105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate (CID 107238309) is tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCC1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate?
The InChIKey is LUAUXZXLWXRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-8-11(12)15-9-10-4-6-18-7-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107238309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).