2-methoxy-N,2-dimethylbutane-1,4-diamine

C7H18N2O — CID 174853797

IUPAC2-methoxy-N,2-dimethylbutane-1,4-diamine
SMILESCNCC(C)(CCN)OC
InChIInChI=1S/C7H18N2O/c1-7(10-3,4-5-8)6-9-2/h9H,4-6,8H2,1-3H3
InChIKeyYPKYADKISJIPRS-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.04
Rot. Bonds5

About 2-methoxy-N,2-dimethylbutane-1,4-diamine

2-methoxy-N,2-dimethylbutane-1,4-diamine (PubChem CID 174853797) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethylbutane-1,4-diamine
PubChem CID174853797
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-methoxy-N,2-dimethylbutane-1,4-diamine
SMILESCNCC(C)(CCN)OC
InChIInChI=1S/C7H18N2O/c1-7(10-3,4-5-8)6-9-2/h9H,4-6,8H2,1-3H3
InChIKeyYPKYADKISJIPRS-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
CID 103036795
3-methoxy-3-methylpentane-1,4-diamine
CID 87439375
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
N'-[3,3-dimethyl-4-(methylamino)butyl]-N',2,2-trimethylbutane-1,4-diamine;propane
CID 142493951
3-methoxy-N,2,2-trimethylpropan-1-amine;hydrochloride
CID 71757519
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112589696
2-amino-1-(methylamino)propan-2-ol
CID 126635674
O-(4-amino-2-methylbutan-2-yl)hydroxylamine
CID 153346909
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 2-methoxy-N,2-dimethylbutane-1,4-diamine (CID 174853797) is 2-methoxy-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-methoxy-N,2-dimethylbutane-1,4-diamine is CNCC(C)(CCN)OC.
What is the InChIKey of 2-methoxy-N,2-dimethylbutane-1,4-diamine?
The InChIKey is YPKYADKISJIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(10-3,4-5-8)6-9-2/h9H,4-6,8H2,1-3H3.
What are the key properties of 2-methoxy-N,2-dimethylbutane-1,4-diamine?
2-methoxy-N,2-dimethylbutane-1,4-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 174853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).