tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate

C12H24N2O3 — CID 107237881

IUPACtert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
SMILESCOCC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(7-16-5)13-9-6-10(9)14-11(15)17-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyNSJVAVIVLXXRST-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.28
Rot. Bonds5

About tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate (PubChem CID 107237881) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
PubChem CID107237881
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
SMILESCOCC(C)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(7-16-5)13-9-6-10(9)14-11(15)17-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyNSJVAVIVLXXRST-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]cyclopropyl]carbamate
CID 107237567
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate (CID 107237881) is tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate is COCC(C)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate?
The InChIKey is NSJVAVIVLXXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(7-16-5)13-9-6-10(9)14-11(15)17-12(2,3)4/h8-10,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.28, 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-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).