2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate

C13H28N2O4 — CID 175303197

IUPAC2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)OCCOCCCN
InChIInChI=1S/C13H28N2O4/c1-11(18-9-8-17-7-5-6-14)10-19-12(16)15-13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyWMUDKEVVPFMDTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.28
Rot. Bonds9

About 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate

2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate (PubChem CID 175303197) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
PubChem CID175303197
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)OCCOCCCN
InChIInChI=1S/C13H28N2O4/c1-11(18-9-8-17-7-5-6-14)10-19-12(16)15-13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyWMUDKEVVPFMDTP-UHFFFAOYSA-N
XLogP1.28
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 126603830
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate?
The IUPAC name of 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate (CID 175303197) is 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate?
The canonical SMILES for 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate is CC(COC(=O)NC(C)(C)C)OCCOCCCN.
What is the InChIKey of 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate?
The InChIKey is WMUDKEVVPFMDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-11(18-9-8-17-7-5-6-14)10-19-12(16)15-13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate?
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate is sourced from PubChem (CID 175303197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).