[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate

C10H21N3O2 — CID 175379340

IUPAC[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
SMILESCN1CC[C@@H](OC(=O)NC(C)(C)C)CN1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)12-9(14)15-8-5-6-13(4)11-7-8/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyLWOCWWFBIFPPBG-MRVPVSSYSA-N
MW215.30 g/mol
LogP0.72
Rot. Bonds1

About [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate

[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate (PubChem CID 175379340) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
PubChem CID175379340
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
SMILESCN1CC[C@@H](OC(=O)NC(C)(C)C)CN1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)12-9(14)15-8-5-6-13(4)11-7-8/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyLWOCWWFBIFPPBG-MRVPVSSYSA-N
XLogP0.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyldiazinan-4-yl) carbamate
CID 175379398
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
CID 175304424
[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174969503
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride
CID 154699047
[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 175578159
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196

Frequently Asked Questions

What is the IUPAC name of [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate?
The IUPAC name of [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate (CID 175379340) is [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate is CN1CC[C@@H](OC(=O)NC(C)(C)C)CN1.
What is the InChIKey of [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate?
The InChIKey is LWOCWWFBIFPPBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)12-9(14)15-8-5-6-13(4)11-7-8/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1.
What are the key properties of [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate?
[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate has a molecular weight of 215.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175379340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).