N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine

C12H26N4O2 — CID 163683267

IUPACN-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine
SMILESCCCOCCN(CCOCCN=[N+]=[N-])C(C)C
InChIInChI=1S/C12H26N4O2/c1-4-8-17-10-6-16(12(2)3)7-11-18-9-5-14-15-13/h12H,4-11H2,1-3H3
InChIKeyJMQAOANHGFKCEX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.45
Rot. Bonds12

About N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine

N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine (PubChem CID 163683267) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine
PubChem CID163683267
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine
SMILESCCCOCCN(CCOCCN=[N+]=[N-])C(C)C
InChIInChI=1S/C12H26N4O2/c1-4-8-17-10-6-16(12(2)3)7-11-18-9-5-14-15-13/h12H,4-11H2,1-3H3
InChIKeyJMQAOANHGFKCEX-UHFFFAOYSA-N
XLogP2.45
TPSA70.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine (CID 163683267) is N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine is CCCOCCN(CCOCCN=[N+]=[N-])C(C)C.
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine?
The InChIKey is JMQAOANHGFKCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-4-8-17-10-6-16(12(2)3)7-11-18-9-5-14-15-13/h12H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine?
N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine is sourced from PubChem (CID 163683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).