N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine

C11H24N2O — CID 114470922

IUPACN',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)CCOCCNCCN(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)5-9-14-10-7-12-6-8-13(3)4/h12H,1,5-10H2,2-4H3
InChIKeyHXXDGDFHGNGMEG-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.12
Rot. Bonds9

About N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114470922) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114470922
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)CCOCCNCCN(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)5-9-14-10-7-12-6-8-13(3)4/h12H,1,5-10H2,2-4H3
InChIKeyHXXDGDFHGNGMEG-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.12
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

2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
tert-butyl 3-[2-[2-[2-[methyl-[1-[(2-methylpropan-2-yl)oxy]ethenyl]amino]ethylamino]ethoxy]ethoxy]propanoate
CID 155029953
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
CID 114470839
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
CID 91542846
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
2-(3-methylbut-3-enoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114470947
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine (CID 114470922) is N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine is C=C(C)CCOCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is HXXDGDFHGNGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)5-9-14-10-7-12-6-8-13(3)4/h12H,1,5-10H2,2-4H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114470922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).