2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine

C9H22N2O — CID 65385183

IUPAC2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCC(C)NC(C)(CN)COC
InChIInChI=1S/C9H22N2O/c1-5-8(2)11-9(3,6-10)7-12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyFYONDCSVZNCGRI-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.74
Rot. Bonds6

About 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine

2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine (PubChem CID 65385183) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine
PubChem CID65385183
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCC(C)NC(C)(CN)COC
InChIInChI=1S/C9H22N2O/c1-5-8(2)11-9(3,6-10)7-12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyFYONDCSVZNCGRI-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-2-methylpropane-1,2-diamine
CID 65382863
2-N-butan-2-yl-3-(3,4-dimethoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383072
3-methoxy-2-methyl-2-N-prop-2-enylpropane-1,2-diamine
CID 65384509
2-methyl-2-N-propan-2-ylbutane-1,2-diamine
CID 62066789
N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
CID 134402382
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
4-(1,3-benzodioxol-5-yl)-2-N-butan-2-yl-2-methylbutane-1,2-diamine
CID 65386040
3-methoxy-2-methyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494738
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
2-N-(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
CID 62539724
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine (CID 65385183) is 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine is CCC(C)NC(C)(CN)COC.
What is the InChIKey of 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine?
The InChIKey is FYONDCSVZNCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-8(2)11-9(3,6-10)7-12-4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine?
2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-3-methoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 65385183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).