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

C12H26N2O — CID 107442860

IUPACN'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESC=C(C)COCCNCC(CN)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-6-5-14-8-12(7-13)11(3)4/h11-12,14H,1,5-9,13H2,2-4H3
InChIKeyJLLFPQXJZQSLPV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.40
Rot. Bonds9

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

N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442860) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442860
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESC=C(C)COCCNCC(CN)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-6-5-14-8-12(7-13)11(3)4/h11-12,14H,1,5-9,13H2,2-4H3
InChIKeyJLLFPQXJZQSLPV-UHFFFAOYSA-N
XLogP1.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.40
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-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-ethyl-3-methyl-2-prop-2-enoxybutan-1-amine
CID 62442258
3-methyl-2-prop-2-enoxy-N-propylbutan-1-amine
CID 62442259
3-methyl-N-(2-methylpropyl)-2-prop-2-enoxybutan-1-amine
CID 62442442
3-methyl-N-(2-prop-2-enoxypropyl)butan-1-amine
CID 62571911
3-methyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62572069
N-(2-but-2-enoxyethyl)-3-methylbutan-1-amine
CID 76946863
3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 103033655
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104859927
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 106452619
2-(2-methylprop-2-enoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 114465677

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 107442860) is N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine is C=C(C)COCCNCC(CN)C(C)C.
What is the InChIKey of N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is JLLFPQXJZQSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-15-6-5-14-8-12(7-13)11(3)4/h11-12,14H,1,5-9,13H2,2-4H3.
What are the key properties of N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.40, 9 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]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).