N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine

C10H22N2O — CID 163853615

IUPACN-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
SMILESC=CCNCCOCCNCCC
InChIInChI=1S/C10H22N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyOWLLHPROYNMWQJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.78
Rot. Bonds10

About N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine

N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine (PubChem CID 163853615) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
PubChem CID163853615
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
SMILESC=CCNCCOCCNCCC
InChIInChI=1S/C10H22N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyOWLLHPROYNMWQJ-UHFFFAOYSA-N
XLogP0.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(prop-2-en-1-yl)amine
CID 12238050
N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66276840
N-prop-2-enyl-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82958426
N-(2-ethoxyethyl)prop-2-en-1-amine
CID 12238053
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
CID 59520542
N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
3-morpholin-4-yl-N-prop-2-enylpropan-1-amine
CID 60684409
N-[2-(2-Ethoxyethoxy)ethyl]-2-propen-1-amine
CID 62565966
N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62571284

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine (CID 163853615) is N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine is C=CCNCCOCCNCCC.
What is the InChIKey of N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine?
The InChIKey is OWLLHPROYNMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 163853615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).