tert-butyl N-(3-amino-2-methylpropyl)carbamate

C9H20N2O2 — CID 44629801

IUPACtert-butyl N-(3-amino-2-methylpropyl)carbamate
SMILESCC(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyORDMEFMUSKDHOL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds3

About tert-butyl N-(3-amino-2-methylpropyl)carbamate

tert-butyl N-(3-amino-2-methylpropyl)carbamate (PubChem CID 44629801) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-methylpropyl)carbamate
PubChem CID44629801
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl N-(3-amino-2-methylpropyl)carbamate
SMILESCC(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyORDMEFMUSKDHOL-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-methylpropyl)carbamate (CID 44629801) is tert-butyl N-(3-amino-2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-methylpropyl)carbamate is CC(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-amino-2-methylpropyl)carbamate?
The InChIKey is ORDMEFMUSKDHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(3-amino-2-methylpropyl)carbamate?
tert-butyl N-(3-amino-2-methylpropyl)carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-methylpropyl)carbamate is sourced from PubChem (CID 44629801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).