tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate

C12H24N2O3 — CID 115630476

IUPACtert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC(O)C1CC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-7-6-13-8-10(15)9-4-5-9/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyBKDOGCYBQPEZAM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.87
Rot. Bonds6

About tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate

tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate (PubChem CID 115630476) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
PubChem CID115630476
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC(O)C1CC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-7-6-13-8-10(15)9-4-5-9/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyBKDOGCYBQPEZAM-UHFFFAOYSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl 4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59868425
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
CID 166469427
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate (CID 115630476) is tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNCC(O)C1CC1.
What is the InChIKey of tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate?
The InChIKey is BKDOGCYBQPEZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-7-6-13-8-10(15)9-4-5-9/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]carbamate is sourced from PubChem (CID 115630476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).