2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C12H28N2O — CID 115711323

IUPAC2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOC(C)C(C)NC(CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-9(2)12(8-14(5)6)13-10(3)11(4)15-7/h9-13H,8H2,1-7H3
InChIKeyDXAWJSGWSFEKHE-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds7

About 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 115711323) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID115711323
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOC(C)C(C)NC(CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-9(2)12(8-14(5)6)13-10(3)11(4)15-7/h9-13H,8H2,1-7H3
InChIKeyDXAWJSGWSFEKHE-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-trimethyl-2-N-(1-methylsulfonylpropan-2-yl)butane-1,2-diamine
CID 64630157
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
CID 103245081
1-N,1-N-diethyl-2-N-(3-methoxybutan-2-yl)propane-1,2-diamine
CID 115716950
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetonitrile
CID 61480297
2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476456
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
1-N,1-N,3-trimethyl-2-N-undecan-6-ylbutane-1,2-diamine
CID 63453736
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 115711323) is 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is COC(C)C(C)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is DXAWJSGWSFEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-9(2)12(8-14(5)6)13-10(3)11(4)15-7/h9-13H,8H2,1-7H3.
What are the key properties of 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 115711323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).