N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine

C9H20N2O — CID 156530380

IUPACN-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCNC
InChIInChI=1S/C9H20N2O/c1-4-9(2)11-6-8-12-7-5-10-3/h10-11H,2,4-8H2,1,3H3
InChIKeyLUBWPRUQNVVMEJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds8

About N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine

N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine (PubChem CID 156530380) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
PubChem CID156530380
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCNC
InChIInChI=1S/C9H20N2O/c1-4-9(2)11-6-8-12-7-5-10-3/h10-11H,2,4-8H2,1,3H3
InChIKeyLUBWPRUQNVVMEJ-UHFFFAOYSA-N
XLogP0.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine (CID 156530380) is N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine is C=C(CC)NCCOCCNC.
What is the InChIKey of N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is LUBWPRUQNVVMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-9(2)11-6-8-12-7-5-10-3/h10-11H,2,4-8H2,1,3H3.
What are the key properties of N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine?
N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 156530380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).