ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine

C17H29N — CID 178127636

IUPACethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
SMILESCC.CCc1ccc(C(C)C)cc1CC1CNC1
InChIInChI=1S/C15H23N.C2H6/c1-4-13-5-6-14(11(2)3)8-15(13)7-12-9-16-10-12;1-2/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3;1-2H3
InChIKeyHGLACNBFDCSDJA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.16
Rot. Bonds4

About ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine

ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine (PubChem CID 178127636) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine.

Molecular Properties

Compound Nameethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
PubChem CID178127636
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Nameethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
SMILESCC.CCc1ccc(C(C)C)cc1CC1CNC1
InChIInChI=1S/C15H23N.C2H6/c1-4-13-5-6-14(11(2)3)8-15(13)7-12-9-16-10-12;1-2/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3;1-2H3
InChIKeyHGLACNBFDCSDJA-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine?
The IUPAC name of ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine (CID 178127636) is ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine.
What is the SMILES notation for ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine?
The canonical SMILES for ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine is CC.CCc1ccc(C(C)C)cc1CC1CNC1.
What is the InChIKey of ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine?
The InChIKey is HGLACNBFDCSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-4-13-5-6-14(11(2)3)8-15(13)7-12-9-16-10-12;1-2/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine?
ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine has a molecular weight of 247.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine is sourced from PubChem (CID 178127636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).