(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine

C15H21N — CID 114604111

IUPAC(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
SMILESCC1(C(N)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C15H21N/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11,14H,4-6,9-10,16H2,1H3
InChIKeyVWGCEBUSUUMMAJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.75
Rot. Bonds3

About (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine

(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine (PubChem CID 114604111) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
PubChem CID114604111
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
SMILESCC1(C(N)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C15H21N/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11,14H,4-6,9-10,16H2,1H3
InChIKeyVWGCEBUSUUMMAJ-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine (CID 114604111) is (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine is CC1(C(N)c2ccccc2C2CCC2)CC1.
What is the InChIKey of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine?
The InChIKey is VWGCEBUSUUMMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(9-10-15)14(16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-8,11,14H,4-6,9-10,16H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine?
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 114604111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).