propyl N-(tert-butylamino)carbamate

C8H18N2O2 — CID 150814794

IUPACpropyl N-(tert-butylamino)carbamate
SMILESCCCOC(=O)NNC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6-12-7(11)9-10-8(2,3)4/h10H,5-6H2,1-4H3,(H,9,11)
InChIKeyKIQKFUNZHPQQNL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.43
Rot. Bonds3

About propyl N-(tert-butylamino)carbamate

propyl N-(tert-butylamino)carbamate (PubChem CID 150814794) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is propyl N-(tert-butylamino)carbamate.

Molecular Properties

Compound Namepropyl N-(tert-butylamino)carbamate
PubChem CID150814794
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namepropyl N-(tert-butylamino)carbamate
SMILESCCCOC(=O)NNC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6-12-7(11)9-10-8(2,3)4/h10H,5-6H2,1-4H3,(H,9,11)
InChIKeyKIQKFUNZHPQQNL-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of propyl N-(tert-butylamino)carbamate?
The IUPAC name of propyl N-(tert-butylamino)carbamate (CID 150814794) is propyl N-(tert-butylamino)carbamate.
What is the SMILES notation for propyl N-(tert-butylamino)carbamate?
The canonical SMILES for propyl N-(tert-butylamino)carbamate is CCCOC(=O)NNC(C)(C)C.
What is the InChIKey of propyl N-(tert-butylamino)carbamate?
The InChIKey is KIQKFUNZHPQQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-6-12-7(11)9-10-8(2,3)4/h10H,5-6H2,1-4H3,(H,9,11).
What are the key properties of propyl N-(tert-butylamino)carbamate?
propyl N-(tert-butylamino)carbamate has a molecular weight of 174.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(tert-butylamino)carbamate is sourced from PubChem (CID 150814794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).