tert-butyl N-(2-methylpentan-3-ylamino)carbamate

C11H24N2O2 — CID 107237291

IUPACtert-butyl N-(2-methylpentan-3-ylamino)carbamate
SMILESCCC(NNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-7-9(8(2)3)12-13-10(14)15-11(4,5)6/h8-9,12H,7H2,1-6H3,(H,13,14)
InChIKeyMNZXRMMHRGUKIK-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-(2-methylpentan-3-ylamino)carbamate

tert-butyl N-(2-methylpentan-3-ylamino)carbamate (PubChem CID 107237291) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-(2-methylpentan-3-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylpentan-3-ylamino)carbamate
PubChem CID107237291
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-(2-methylpentan-3-ylamino)carbamate
SMILESCCC(NNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-7-9(8(2)3)12-13-10(14)15-11(4,5)6/h8-9,12H,7H2,1-6H3,(H,13,14)
InChIKeyMNZXRMMHRGUKIK-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
CID 54105539
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate
CID 130506890
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylpentan-3-ylamino)carbamate?
The IUPAC name of tert-butyl N-(2-methylpentan-3-ylamino)carbamate (CID 107237291) is tert-butyl N-(2-methylpentan-3-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylpentan-3-ylamino)carbamate?
The canonical SMILES for tert-butyl N-(2-methylpentan-3-ylamino)carbamate is CCC(NNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-(2-methylpentan-3-ylamino)carbamate?
The InChIKey is MNZXRMMHRGUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-7-9(8(2)3)12-13-10(14)15-11(4,5)6/h8-9,12H,7H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(2-methylpentan-3-ylamino)carbamate?
tert-butyl N-(2-methylpentan-3-ylamino)carbamate has a molecular weight of 216.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylpentan-3-ylamino)carbamate is sourced from PubChem (CID 107237291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).