butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane

C13H34N2O — CID 161196394

IUPACbutan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane
SMILESC.C.CC1=NCCN1.CCC.CCC(C)O
InChIInChI=1S/C4H8N2.C4H10O.C3H8.2CH4/c1-4-5-2-3-6-4;1-3-4(2)5;1-3-2;;/h2-3H2,1H3,(H,5,6);4-5H,3H2,1-2H3;3H2,1-2H3;2*1H4
InChIKeyUUJZTTUUJJJGJA-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.47
Rot. Bonds1

About butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane

butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane (PubChem CID 161196394) has the molecular formula C13H34N2O and a molecular weight of 234.43 g/mol. Its IUPAC name is butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane.

Molecular Properties

Compound Namebutan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane
PubChem CID161196394
Molecular FormulaC13H34N2O
Molecular Weight234.43 g/mol
Exact Mass234.27
IUPAC Namebutan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane
SMILESC.C.CC1=NCCN1.CCC.CCC(C)O
InChIInChI=1S/C4H8N2.C4H10O.C3H8.2CH4/c1-4-5-2-3-6-4;1-3-4(2)5;1-3-2;;/h2-3H2,1H3,(H,5,6);4-5H,3H2,1-2H3;3H2,1-2H3;2*1H4
InChIKeyUUJZTTUUJJJGJA-UHFFFAOYSA-N
XLogP3.47
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane?
The IUPAC name of butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane (CID 161196394) is butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane.
What is the SMILES notation for butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane?
The canonical SMILES for butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane is C.C.CC1=NCCN1.CCC.CCC(C)O.
What is the InChIKey of butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane?
The InChIKey is UUJZTTUUJJJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C4H10O.C3H8.2CH4/c1-4-5-2-3-6-4;1-3-4(2)5;1-3-2;;/h2-3H2,1H3,(H,5,6);4-5H,3H2,1-2H3;3H2,1-2H3;2*1H4.
What are the key properties of butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane?
butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane has a molecular weight of 234.43 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;methane;2-methyl-4,5-dihydro-1H-imidazole;propane is sourced from PubChem (CID 161196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).