tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate

C13H24N2O2 — CID 123215862

IUPACtert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
SMILESC/N=C/C(C)(CC1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,9-14-5)8-10-6-7-10/h9-10H,6-8H2,1-5H3,(H,15,16)/b14-9+
InChIKeyXRDUYQHNFNWNJX-NTEUORMPSA-N
MW240.35 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate

tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate (PubChem CID 123215862) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
PubChem CID123215862
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
SMILESC/N=C/C(C)(CC1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,9-14-5)8-10-6-7-10/h9-10H,6-8H2,1-5H3,(H,15,16)/b14-9+
InChIKeyXRDUYQHNFNWNJX-NTEUORMPSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
CID 84729309
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
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
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
CID 68713434
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
CID 84723535
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl (2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101268797
tert-butyl N-(1-hydroxy-2,4-dimethylpent-3-en-2-yl)carbamate
CID 166473368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate (CID 123215862) is tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate is C/N=C/C(C)(CC1CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate?
The InChIKey is XRDUYQHNFNWNJX-NTEUORMPSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,9-14-5)8-10-6-7-10/h9-10H,6-8H2,1-5H3,(H,15,16)/b14-9+.
What are the key properties of tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate?
tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate is sourced from PubChem (CID 123215862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).