N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C12H26N2O — CID 114467704

IUPACN',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCN(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyABNRWNUKVQDKSC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.51
Rot. Bonds10

About N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114467704) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114467704
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCN(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyABNRWNUKVQDKSC-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
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
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N'-(2-methoxyethyl)ethane-1,2-diamine;2-methylbut-2-ene
CID 144259040
Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 155624962
N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 163715916
2-[2-(dimethylamino)ethoxymethyl]-N-methylprop-2-en-1-amine
CID 164002361
2-[(1-Methoxy-2-methylprop-2-enyl)amino]ethyl-trimethylazanium
CID 167083417

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114467704) is N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is ABNRWNUKVQDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h13H,3,5-11H2,1-2,4H3.
What are the key properties of N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114467704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).