butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane

C17H43NO3 — CID 160861824

IUPACbutan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
SMILESCCC(C)COC.CCC(C)N.COC.COCC(C)C
InChIInChI=1S/C6H14O.C5H12O.C4H11N.C2H6O/c1-4-6(2)5-7-3;1-5(2)4-6-3;1-3-4(2)5;1-3-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,3,5H2,1-2H3;1-2H3
InChIKeySKOZIDCFHLNTQJ-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.97
Rot. Bonds6

About butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane

butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane (PubChem CID 160861824) has the molecular formula C17H43NO3 and a molecular weight of 309.54 g/mol. Its IUPAC name is butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane.

Molecular Properties

Compound Namebutan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
PubChem CID160861824
Molecular FormulaC17H43NO3
Molecular Weight309.54 g/mol
Exact Mass309.32
IUPAC Namebutan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
SMILESCCC(C)COC.CCC(C)N.COC.COCC(C)C
InChIInChI=1S/C6H14O.C5H12O.C4H11N.C2H6O/c1-4-6(2)5-7-3;1-5(2)4-6-3;1-3-4(2)5;1-3-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,3,5H2,1-2H3;1-2H3
InChIKeySKOZIDCFHLNTQJ-UHFFFAOYSA-N
XLogP3.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methane;1-methoxy-2-methylbutane
CID 159281556
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
3-(methoxymethyl)pentan-2-amine
CID 66437856
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
1-methoxy-2,22-dimethyltetracosane
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5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
heptane;hexane;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-3-methylbutane;1-methoxy-2-methylheptane;1-methoxy-2-methylhexane;1-methoxy-2-methyloctane;1-methoxy-2-methylpentane;1-methoxy-3-methylpentane;1-methoxy-2-methylpropane;pentane
CID 159612822
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
1-methoxy-2,4,5-trimethylheptane
CID 177138936

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane?
The IUPAC name of butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane (CID 160861824) is butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane.
What is the SMILES notation for butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane?
The canonical SMILES for butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane is CCC(C)COC.CCC(C)N.COC.COCC(C)C.
What is the InChIKey of butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane?
The InChIKey is SKOZIDCFHLNTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12O.C4H11N.C2H6O/c1-4-6(2)5-7-3;1-5(2)4-6-3;1-3-4(2)5;1-3-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,3,5H2,1-2H3;1-2H3.
What are the key properties of butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane?
butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane has a molecular weight of 309.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane is sourced from PubChem (CID 160861824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).