1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine

C15H21N — CID 116517534

IUPAC1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(C1CCC1)C1CC1c1ccccc1
InChIInChI=1S/C15H21N/c1-16-15(12-8-5-9-12)14-10-13(14)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3
InChIKeyAWTQASJVLHCYAQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.18
Rot. Bonds4

About 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 116517534) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID116517534
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(C1CCC1)C1CC1c1ccccc1
InChIInChI=1S/C15H21N/c1-16-15(12-8-5-9-12)14-10-13(14)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3
InChIKeyAWTQASJVLHCYAQ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 116517534) is 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(C1CCC1)C1CC1c1ccccc1.
What is the InChIKey of 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is AWTQASJVLHCYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-15(12-8-5-9-12)14-10-13(14)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).