3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

C11H24N2O — CID 114466339

IUPAC3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)8-14-6-5-13-11(7-12)10(3)4/h10-11,13H,1,5-8,12H2,2-4H3
InChIKeyIJCJEBBWPRYMHV-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.15
Rot. Bonds8

About 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine

3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (PubChem CID 114466339) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
PubChem CID114466339
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)8-14-6-5-13-11(7-12)10(3)4/h10-11,13H,1,5-8,12H2,2-4H3
InChIKeyIJCJEBBWPRYMHV-UHFFFAOYSA-N
XLogP1.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.15
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-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
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3-methyl-N-propan-2-yl-2-prop-2-enoxybutan-1-amine
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3-methyl-N-(2-prop-2-enoxyethyl)butan-2-amine
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CID 103439387
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
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N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutanamine
CID 104005635
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine (CID 114466339) is 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is C=C(C)COCCNC(CN)C(C)C.
What is the InChIKey of 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
The InChIKey is IJCJEBBWPRYMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)8-14-6-5-13-11(7-12)10(3)4/h10-11,13H,1,5-8,12H2,2-4H3.
What are the key properties of 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine?
3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine is sourced from PubChem (CID 114466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).