4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine

C12H28N2O — CID 116501663

IUPAC4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)CCC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)6-7-14(4)12(8-13)11(3)9-15-5/h10-12H,6-9,13H2,1-5H3
InChIKeyDHFNBQGBVWDYIA-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.57
Rot. Bonds8

About 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine

4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine (PubChem CID 116501663) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
PubChem CID116501663
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)CCC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)6-7-14(4)12(8-13)11(3)9-15-5/h10-12H,6-9,13H2,1-5H3
InChIKeyDHFNBQGBVWDYIA-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699
3-methoxy-2-[methyl(3-methylbutyl)amino]propanehydrazide
CID 103229666
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
CID 116501559
3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
CID 79409704
(2R,3R)-4-methoxy-N,N,2,3-tetramethylbutan-1-amine
CID 163903931
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
CID 63693434
3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
CID 107869505
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine (CID 116501663) is 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine is COCC(C)C(CN)N(C)CCC(C)C.
What is the InChIKey of 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The InChIKey is DHFNBQGBVWDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)6-7-14(4)12(8-13)11(3)9-15-5/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine?
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 116501663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).