tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate

C14H26N2O3 — CID 115050416

IUPACtert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(N)C2CCOC2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-14(5-6-14)11(15)10-4-7-18-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyQHJVJQBIKGORCL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate (PubChem CID 115050416) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
PubChem CID115050416
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(N)C2CCOC2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-14(5-6-14)11(15)10-4-7-18-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyQHJVJQBIKGORCL-UHFFFAOYSA-N
XLogP1.66
TPSA73.58 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate
CID 115052180
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)hexanoic acid
CID 165486598
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
tert-butyl N-[[(3R,4R)-3,4-dihydroxyoxan-4-yl]methyl]carbamate;osmium
CID 175946854
tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
CID 167723194
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[(3S)-3-[(2R)-2-methyloxiran-2-yl]-3-[(3R)-oxolan-3-yl]propanoyl]carbamate
CID 172689609
tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
CID 103936437
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 55603155

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate (CID 115050416) is tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(C(N)C2CCOC2)CC1.
What is the InChIKey of tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The InChIKey is QHJVJQBIKGORCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-9-14(5-6-14)11(15)10-4-7-18-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 115050416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).