methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane

C13H31NO2 — CID 178134897

IUPACmethanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
SMILESCC(C)CCOC(C)(C)COC(C)C.CN
InChIInChI=1S/C12H26O2.CH5N/c1-10(2)7-8-14-12(5,6)9-13-11(3)4;1-2/h10-11H,7-9H2,1-6H3;2H2,1H3
InChIKeyBGVHHSPWKOIQLU-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.83
Rot. Bonds7

About methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane

methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane (PubChem CID 178134897) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane.

Molecular Properties

Compound Namemethanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
PubChem CID178134897
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Namemethanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
SMILESCC(C)CCOC(C)(C)COC(C)C.CN
InChIInChI=1S/C12H26O2.CH5N/c1-10(2)7-8-14-12(5,6)9-13-11(3)4;1-2/h10-11H,7-9H2,1-6H3;2H2,1H3
InChIKeyBGVHHSPWKOIQLU-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123343377
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
N-[2-(2-methyl-1-propan-2-yloxypropan-2-yl)oxyethyl]formamide
CID 129273951
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
2-(3-methylbutoxy)butan-2-amine
CID 176953255
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100

Frequently Asked Questions

What is the IUPAC name of methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane?
The IUPAC name of methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane (CID 178134897) is methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane.
What is the SMILES notation for methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane?
The canonical SMILES for methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane is CC(C)CCOC(C)(C)COC(C)C.CN.
What is the InChIKey of methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane?
The InChIKey is BGVHHSPWKOIQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.CH5N/c1-10(2)7-8-14-12(5,6)9-13-11(3)4;1-2/h10-11H,7-9H2,1-6H3;2H2,1H3.
What are the key properties of methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane?
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane has a molecular weight of 233.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane is sourced from PubChem (CID 178134897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).