2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine

C11H22N2O — CID 114416278

IUPAC2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine
SMILESC#CC(C)NC(CN)(COC)C(C)C
InChIInChI=1S/C11H22N2O/c1-6-10(4)13-11(7-12,8-14-5)9(2)3/h1,9-10,13H,7-8,12H2,2-5H3
InChIKeyRALFUWLRYIPKOX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.60
Rot. Bonds6

About 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine

2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine (PubChem CID 114416278) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine
PubChem CID114416278
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine
SMILESC#CC(C)NC(CN)(COC)C(C)C
InChIInChI=1S/C11H22N2O/c1-6-10(4)13-11(7-12,8-14-5)9(2)3/h1,9-10,13H,7-8,12H2,2-5H3
InChIKeyRALFUWLRYIPKOX-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
CID 114416015
2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine
CID 65385183
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
N'-but-3-yn-2-ylethane-1,2-diamine
CID 15065593
2-N-but-3-yn-2-ylpropane-1,2-diamine
CID 114415976
3-(but-3-yn-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106189892
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine
CID 65381584
2-cyclopentyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139927528
1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
CID 88698683
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine (CID 114416278) is 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine is C#CC(C)NC(CN)(COC)C(C)C.
What is the InChIKey of 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine?
The InChIKey is RALFUWLRYIPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-10(4)13-11(7-12,8-14-5)9(2)3/h1,9-10,13H,7-8,12H2,2-5H3.
What are the key properties of 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine?
2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).