N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine

C9H20N2O — CID 114465895

IUPACN'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine
SMILESC=C(C)COCCNCCCN
InChIInChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8,10H2,2H3
InChIKeyYYAYSDUWZUYGBQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.52
Rot. Bonds8

About N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine

N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine (PubChem CID 114465895) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine
PubChem CID114465895
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine
SMILESC=C(C)COCCNCCCN
InChIInChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8,10H2,2H3
InChIKeyYYAYSDUWZUYGBQ-UHFFFAOYSA-N
XLogP0.52
TPSA47.28 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 ≤ 50.52
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

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62571284
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine (CID 114465895) is N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine is C=C(C)COCCNCCCN.
What is the InChIKey of N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine?
The InChIKey is YYAYSDUWZUYGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8,10H2,2H3.
What are the key properties of N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine?
N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 114465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).