tert-butyl N-(3-aminopropyl)-N-methylcarbamate

C9H20N2O2 — CID 2756543

IUPACtert-butyl N-(3-aminopropyl)-N-methylcarbamate
SMILESCN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3
InChIKeyPNQYAMWGTGWJDW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds3

About tert-butyl N-(3-aminopropyl)-N-methylcarbamate

tert-butyl N-(3-aminopropyl)-N-methylcarbamate (PubChem CID 2756543) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl N-(3-aminopropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminopropyl)-N-methylcarbamate
PubChem CID2756543
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl N-(3-aminopropyl)-N-methylcarbamate
SMILESCN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3
InChIKeyPNQYAMWGTGWJDW-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminopropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-aminopropyl)-N-methylcarbamate (CID 2756543) is tert-butyl N-(3-aminopropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-aminopropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-aminopropyl)-N-methylcarbamate is CN(CCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-aminopropyl)-N-methylcarbamate?
The InChIKey is PNQYAMWGTGWJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3.
What are the key properties of tert-butyl N-(3-aminopropyl)-N-methylcarbamate?
tert-butyl N-(3-aminopropyl)-N-methylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminopropyl)-N-methylcarbamate is sourced from PubChem (CID 2756543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).