tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate

C12H24N2O2 — CID 84726052

IUPACtert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
SMILESCC(CN)(CC1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4,8-13)7-9-5-6-9/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyWBQKIDDFDOLHQK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.03
Rot. Bonds4

About tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate

tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate (PubChem CID 84726052) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
PubChem CID84726052
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
SMILESCC(CN)(CC1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4,8-13)7-9-5-6-9/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyWBQKIDDFDOLHQK-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
CID 123215862
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
CID 84729309
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate
CID 171784798
methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
CID 118990032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate (CID 84726052) is tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate is CC(CN)(CC1CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate?
The InChIKey is WBQKIDDFDOLHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4,8-13)7-9-5-6-9/h9H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate?
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 84726052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).