3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine

C18H23N — CID 118185618

IUPAC3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine
SMILESCC1CN(Cc2ccc(C(C)C)c3ccccc23)C1
InChIInChI=1S/C18H23N/c1-13(2)16-9-8-15(12-19-10-14(3)11-19)17-6-4-5-7-18(16)17/h4-9,13-14H,10-12H2,1-3H3
InChIKeyZFMGJEPPLYUZTP-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.41
Rot. Bonds3

About 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine

3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine (PubChem CID 118185618) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine.

Molecular Properties

Compound Name3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine
PubChem CID118185618
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine
SMILESCC1CN(Cc2ccc(C(C)C)c3ccccc23)C1
InChIInChI=1S/C18H23N/c1-13(2)16-9-8-15(12-19-10-14(3)11-19)17-6-4-5-7-18(16)17/h4-9,13-14H,10-12H2,1-3H3
InChIKeyZFMGJEPPLYUZTP-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine?
The IUPAC name of 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine (CID 118185618) is 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine.
What is the SMILES notation for 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine?
The canonical SMILES for 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine is CC1CN(Cc2ccc(C(C)C)c3ccccc23)C1.
What is the InChIKey of 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine?
The InChIKey is ZFMGJEPPLYUZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13(2)16-9-8-15(12-19-10-14(3)11-19)17-6-4-5-7-18(16)17/h4-9,13-14H,10-12H2,1-3H3.
What are the key properties of 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine?
3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine has a molecular weight of 253.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-propan-2-ylnaphthalen-1-yl)methyl]azetidine is sourced from PubChem (CID 118185618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).