ethane;3-methyl-3-(methylamino)butan-1-ol;propane

C11H29NO — CID 142331401

IUPACethane;3-methyl-3-(methylamino)butan-1-ol;propane
SMILESCC.CCC.CNC(C)(C)CCO
InChIInChI=1S/C6H15NO.C3H8.C2H6/c1-6(2,7-3)4-5-8;1-3-2;1-2/h7-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyWHENMKKCCWVZDG-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.81
Rot. Bonds3

About ethane;3-methyl-3-(methylamino)butan-1-ol;propane

ethane;3-methyl-3-(methylamino)butan-1-ol;propane (PubChem CID 142331401) has the molecular formula C11H29NO and a molecular weight of 191.36 g/mol. Its IUPAC name is ethane;3-methyl-3-(methylamino)butan-1-ol;propane.

Molecular Properties

Compound Nameethane;3-methyl-3-(methylamino)butan-1-ol;propane
PubChem CID142331401
Molecular FormulaC11H29NO
Molecular Weight191.36 g/mol
Exact Mass191.22
IUPAC Nameethane;3-methyl-3-(methylamino)butan-1-ol;propane
SMILESCC.CCC.CNC(C)(C)CCO
InChIInChI=1S/C6H15NO.C3H8.C2H6/c1-6(2,7-3)4-5-8;1-3-2;1-2/h7-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyWHENMKKCCWVZDG-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3-(methylamino)-1-butanol
CID 54595948
4-Methyl-4-(methylamino)-2-pentanol
CID 23264434
4,4,4-Trifluoro-3-methyl-3-(methylamino)butan-1-ol
CID 84073077
3-Methyl-3-(3,3,3-trifluoropropylamino)butan-1-ol
CID 116342026
3-(2-Fluoroethylamino)-3-methylbutan-1-ol
CID 116342040
3-(3-Fluoropropylamino)-3-methylbutan-1-ol
CID 116342307
3-(Tert-butylamino)propan-1-ol
CID 3844519
4-(Tert-butylamino)-1-butanol
CID 12484483
3-(Ethylamino)-2-methylbutan-1-ol
CID 14690638
3,3'-Azanediylbis(3-methylbutan-1-ol)
CID 17910180
3-(3-Methylbutan-2-ylamino)propan-1-ol
CID 19426034
3-(Tert-butylamino)butan-1-ol
CID 20487216

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-(methylamino)butan-1-ol;propane?
The IUPAC name of ethane;3-methyl-3-(methylamino)butan-1-ol;propane (CID 142331401) is ethane;3-methyl-3-(methylamino)butan-1-ol;propane.
What is the SMILES notation for ethane;3-methyl-3-(methylamino)butan-1-ol;propane?
The canonical SMILES for ethane;3-methyl-3-(methylamino)butan-1-ol;propane is CC.CCC.CNC(C)(C)CCO.
What is the InChIKey of ethane;3-methyl-3-(methylamino)butan-1-ol;propane?
The InChIKey is WHENMKKCCWVZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C3H8.C2H6/c1-6(2,7-3)4-5-8;1-3-2;1-2/h7-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-3-(methylamino)butan-1-ol;propane?
ethane;3-methyl-3-(methylamino)butan-1-ol;propane has a molecular weight of 191.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-(methylamino)butan-1-ol;propane is sourced from PubChem (CID 142331401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).