N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine

C9H21N3O — CID 175777961

IUPACN-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine
SMILESC=CCNCNCCOCNCC
InChIInChI=1S/C9H21N3O/c1-3-5-11-8-12-6-7-13-9-10-4-2/h3,10-12H,1,4-9H2,2H3
InChIKeyFYHLJIDBENJGNX-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.11
Rot. Bonds10

About N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine

N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine (PubChem CID 175777961) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine.

Molecular Properties

Compound NameN-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine
PubChem CID175777961
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine
SMILESC=CCNCNCCOCNCC
InChIInChI=1S/C9H21N3O/c1-3-5-11-8-12-6-7-13-9-10-4-2/h3,10-12H,1,4-9H2,2H3
InChIKeyFYHLJIDBENJGNX-UHFFFAOYSA-N
XLogP-0.11
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine?
The IUPAC name of N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine (CID 175777961) is N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine.
What is the SMILES notation for N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine?
The canonical SMILES for N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine is C=CCNCNCCOCNCC.
What is the InChIKey of N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine?
The InChIKey is FYHLJIDBENJGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-3-5-11-8-12-6-7-13-9-10-4-2/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine?
N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine has a molecular weight of 187.29 g/mol, XLogP of -0.11, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethoxy)ethyl]-N'-prop-2-enylmethanediamine is sourced from PubChem (CID 175777961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).